(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide

C15H13N3O — CID 863695

IUPAC(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
SMILESN#C[C@H](Cc1cccnc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H13N3O/c16-10-13(9-12-5-4-8-17-11-12)15(19)18-14-6-2-1-3-7-14/h1-8,11,13H,9H2,(H,18,19)/t13-/m0/s1
InChIKeyWSOIXRNEKKXRIJ-ZDUSSCGKSA-N
MW251.29 g/mol
LogP2.40
Rot. Bonds4

About (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide

(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide (PubChem CID 863695) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
PubChem CID863695
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
SMILESN#C[C@H](Cc1cccnc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H13N3O/c16-10-13(9-12-5-4-8-17-11-12)15(19)18-14-6-2-1-3-7-14/h1-8,11,13H,9H2,(H,18,19)/t13-/m0/s1
InChIKeyWSOIXRNEKKXRIJ-ZDUSSCGKSA-N
XLogP2.40
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide
CID 3169988
2-cyano-3-(3-methylphenyl)-N-phenylpropanamide
CID 82122389
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide
CID 103094354
(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide
CID 167600345
N-[4-(cyclopropanecarbonyl)phenyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425839
2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 67946283
N-(3-fluorophenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425726
3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82118256
3-(4-methylpiperazin-1-yl)-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82121004
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
CID 131865555

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide?
The IUPAC name of (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide (CID 863695) is (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide is N#C[C@H](Cc1cccnc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide?
The InChIKey is WSOIXRNEKKXRIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-13(9-12-5-4-8-17-11-12)15(19)18-14-6-2-1-3-7-14/h1-8,11,13H,9H2,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide?
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide has a molecular weight of 251.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 863695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).