2-amino-3-(2-cyano-6-methoxyanilino)propanamide

C11H14N4O2 — CID 107468750

IUPAC2-amino-3-(2-cyano-6-methoxyanilino)propanamide
SMILESCOc1cccc(C#N)c1NCC(N)C(N)=O
InChIInChI=1S/C11H14N4O2/c1-17-9-4-2-3-7(5-12)10(9)15-6-8(13)11(14)16/h2-4,8,15H,6,13H2,1H3,(H2,14,16)
InChIKeyMLWUSXCPEPUMHH-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.21
Rot. Bonds5

About 2-amino-3-(2-cyano-6-methoxyanilino)propanamide

2-amino-3-(2-cyano-6-methoxyanilino)propanamide (PubChem CID 107468750) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-amino-3-(2-cyano-6-methoxyanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-cyano-6-methoxyanilino)propanamide
PubChem CID107468750
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-amino-3-(2-cyano-6-methoxyanilino)propanamide
SMILESCOc1cccc(C#N)c1NCC(N)C(N)=O
InChIInChI=1S/C11H14N4O2/c1-17-9-4-2-3-7(5-12)10(9)15-6-8(13)11(14)16/h2-4,8,15H,6,13H2,1H3,(H2,14,16)
InChIKeyMLWUSXCPEPUMHH-UHFFFAOYSA-N
XLogP-0.21
TPSA114.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(2-cyano-6-methoxyanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
CID 107467674
2-(2-hydroxybutylamino)-3-methoxybenzonitrile
CID 107467370
2-(2,2-diethoxyethylamino)-3-methoxybenzonitrile
CID 107467407
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-methoxybenzonitrile
CID 107467634
tert-butyl N-[2-(2-cyano-6-methoxyanilino)propyl]carbamate
CID 107466574
5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide
CID 107466870
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432
ethyl (E)-4-(2-cyano-6-methoxyanilino)but-2-enoate
CID 107467558
2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 107467410

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-cyano-6-methoxyanilino)propanamide?
The IUPAC name of 2-amino-3-(2-cyano-6-methoxyanilino)propanamide (CID 107468750) is 2-amino-3-(2-cyano-6-methoxyanilino)propanamide.
What is the SMILES notation for 2-amino-3-(2-cyano-6-methoxyanilino)propanamide?
The canonical SMILES for 2-amino-3-(2-cyano-6-methoxyanilino)propanamide is COc1cccc(C#N)c1NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(2-cyano-6-methoxyanilino)propanamide?
The InChIKey is MLWUSXCPEPUMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-17-9-4-2-3-7(5-12)10(9)15-6-8(13)11(14)16/h2-4,8,15H,6,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-3-(2-cyano-6-methoxyanilino)propanamide?
2-amino-3-(2-cyano-6-methoxyanilino)propanamide has a molecular weight of 234.26 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-cyano-6-methoxyanilino)propanamide is sourced from PubChem (CID 107468750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).