chempirical

Netropsin

C18H26N10O3CAS 1438-30-8430.47 g/mol

Open in Covalent MOL file
NHNONHOHNNHH2NNONHNHNH2
AmideAmidineGuanidine

Properties

Molecular formula
C18H26N10O3
Molar mass
430.47 g/mol
Exact mass
430.2189 Da
Melting point
171–173 °C
logP
-0.26Crippen estimate
Polar surface area
212.4 Ų
H-bond donors / acceptors
8 / 5
Rotatable bonds
9

Identifiers

CAS number
1438-30-8
SMILES
Cn1cc(NC(=O)c2cc(N=C(O)CNC(=N)N)cn2C)cc1C(=O)NCCC(=N)N
InChIKey
IDBIFFKSXLYUOT-UHFFFAOYSA-N
InChI
InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1H-Pyrrole-2-carboxamide, 4-[[2-[(aminoiminomethyl)amino]acetyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-
  • N,4′-Bi[pyrrole-2-carboxamide], N′-(2-amidinoethyl)-4-(2-guanidinoacetamido)-1,1′-dimethyl-
  • 1H-Pyrrole-2-carboxamide, 4-[[[(aminoiminomethyl)amino]acetyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-
  • Congocidine
  • 4-[[2-[(Aminoiminomethyl)amino]acetyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-pyrrole-2-carboxamide
  • IA 887
  • Congocidin
  • Sinanomycin
  • T 1384
  • NSC 3067
  • NCI 3067

Work with Netropsin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Guanidinopropionic acid353-09-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia