2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide

C12H16N4O — CID 62936241

IUPAC2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccnc(C#N)c1
InChIInChI=1S/C12H16N4O/c1-3-5-15-12(17)9-16(2)11-4-6-14-10(7-11)8-13/h4,6-7H,3,5,9H2,1-2H3,(H,15,17)
InChIKeyZKCITPBJZNDGGQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.92
Rot. Bonds5

About 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide

2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide (PubChem CID 62936241) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide
PubChem CID62936241
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccnc(C#N)c1
InChIInChI=1S/C12H16N4O/c1-3-5-15-12(17)9-16(2)11-4-6-14-10(7-11)8-13/h4,6-7H,3,5,9H2,1-2H3,(H,15,17)
InChIKeyZKCITPBJZNDGGQ-UHFFFAOYSA-N
XLogP0.92
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide 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

2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 63886350
ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
CID 55210694
3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915466
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N-propylacetamide
CID 61452628
2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
CID 62135454
4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
CID 81055827
2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 55139193
2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
CID 63883092
2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide
CID 83131702
4-(dibutylamino)pyridine-2-carbonitrile
CID 62924779
2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
CID 81214504
4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile
CID 62927034

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide (CID 62936241) is 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1ccnc(C#N)c1.
What is the InChIKey of 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide?
The InChIKey is ZKCITPBJZNDGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-5-15-12(17)9-16(2)11-4-6-14-10(7-11)8-13/h4,6-7H,3,5,9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide?
2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide has a molecular weight of 232.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 62936241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).