4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide

C17H16N4O2 — CID 41024194

IUPAC4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccn1
InChIInChI=1S/C17H16N4O2/c1-12(15-4-2-3-11-19-15)20-17(23)13-5-7-14(8-6-13)21-16(22)9-10-18/h2-8,11-12H,9H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyVHCPNFPXVOWDRQ-LBPRGKRZSA-N
MW308.34 g/mol
LogP2.42
Rot. Bonds5

About 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide

4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide (PubChem CID 41024194) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
PubChem CID41024194
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccn1
InChIInChI=1S/C17H16N4O2/c1-12(15-4-2-3-11-19-15)20-17(23)13-5-7-14(8-6-13)21-16(22)9-10-18/h2-8,11-12H,9H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyVHCPNFPXVOWDRQ-LBPRGKRZSA-N
XLogP2.42
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide 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

4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353
4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 51470258
N-(4-methylphenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406656

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide (CID 41024194) is 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccn1.
What is the InChIKey of 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is VHCPNFPXVOWDRQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12(15-4-2-3-11-19-15)20-17(23)13-5-7-14(8-6-13)21-16(22)9-10-18/h2-8,11-12H,9H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 41024194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).