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C21H20N4O3CAS 209783-80-2376.42 g/mol

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H2NHNONHOON
AmidePrimary amine

Properties

Molecular formula
C21H20N4O3
Molar mass
376.42 g/mol
Exact mass
376.1535 Da
Melting point
159–160 °C
logP
3.55Crippen estimate
Polar surface area
109.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6

Identifiers

CAS number
209783-80-2
SMILES
Nc1ccccc1NC(=O)c1ccc(CN=C(O)OCc2cccnc2)cc1
InChIKey
INVTYAOGFAGBOE-UHFFFAOYSA-N
InChI
InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)

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Names and synonyms

7 names
  • Carbamic acid, N-[[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester
  • Carbamic acid, [[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester
  • MS 275
  • MS 27-275
  • MS 275-27
  • SNDX 275
  • (Pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate

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Similar compounds

N-(2-Amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propen-1-yl]amino]methyl]benzamide743420-02-251 % similar Mocetinostat726169-73-949 % similar Tacedinaline112522-64-247 % similar Benzyloxycarbonylglycine1138-80-336 % similar Benzyl nicotinate94-44-036 % similar Phenylmethyl N-(2-amino-2-oxoethyl)carbamate949-90-634 % similar N-Benzyloxycarbonylglycine methyl ester1212-53-934 % similar 4-(Benzyloxycarbonylamino)butyric acid5105-78-234 % similar

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

Elsewhere

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