N-(3-Amino-4-(methylamino)benzoyl)-N-2-pyridinyl-beta-alanine ethyl ester
Properties
- Molecular formula
- C18H22N4O3
- Molar mass
- 342.40 g/mol
- Exact mass
- 342.1692 Da
- logP
- 2.31Crippen estimate
- Polar surface area
- 97.5 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 7
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
212322-56-0SMILES
CCOC(=O)CCN(C(=O)c1ccc(NC)c(N)c1)c1ccccn1InChIKey
PCPATNZTKBOKOY-UHFFFAOYSA-NInChI
InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- N-[3-Amino-4-(methylamino)benzoyl]-N-2-pyridinyl-β-alanine ethyl ester
- β-Alanine, N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-, ethyl ester
- Ethyl 3-[(3-amino-4-methylaminobenzoyl)-(pyridin-2-yl)-amino]propanoate
- Ethyl 3-[3-amino-4-(methylamino)-N-(pyridin-2-yl)benzoylamino]propanoate
- Ethyl 3-[[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino]propionate
- 3-[(3-Amino-4-methylamino-benzoyl)-pyridin-2-yl-amino]-propionic acid ethyl ester
Work with N-(3-Amino-4-(methylamino)benzoyl)-N-2-pyridinyl-beta-alanine ethyl ester
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds