2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide

C17H17N3O — CID 124751193

IUPAC2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1C#N)c1ccc(C)cn1
InChIInChI=1S/C17H17N3O/c1-3-15(16-9-8-12(2)11-19-16)20-17(21)14-7-5-4-6-13(14)10-18/h4-9,11,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyFZTGQIAOTWMARC-HNNXBMFYSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds4

About 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide

2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide (PubChem CID 124751193) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide
PubChem CID124751193
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1C#N)c1ccc(C)cn1
InChIInChI=1S/C17H17N3O/c1-3-15(16-9-8-12(2)11-19-16)20-17(21)14-7-5-4-6-13(14)10-18/h4-9,11,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyFZTGQIAOTWMARC-HNNXBMFYSA-N
XLogP3.14
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 91791681
2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126443243
1-methyl-N-[1-(5-methyl-2-pyridinyl)propyl]imidazole-2-carboxamide
CID 118763338
4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide
CID 126445579
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131939571
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
CID 91775087
2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
CID 54382001
N-[(S)-(5-chloro-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288151
methyl (2S)-2-[(2-cyanobenzoyl)amino]-3-methylbutanoate
CID 134821296
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide?
The IUPAC name of 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide (CID 124751193) is 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide.
What is the SMILES notation for 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide?
The canonical SMILES for 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide is CC[C@H](NC(=O)c1ccccc1C#N)c1ccc(C)cn1.
What is the InChIKey of 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide?
The InChIKey is FZTGQIAOTWMARC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-15(16-9-8-12(2)11-19-16)20-17(21)14-7-5-4-6-13(14)10-18/h4-9,11,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide?
2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide is sourced from PubChem (CID 124751193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).