2-(6-cyano-3-pyridinyl)-3-phenylpropanamide

C15H13N3O — CID 154724655

IUPAC2-(6-cyano-3-pyridinyl)-3-phenylpropanamide
SMILESN#Cc1ccc(C(Cc2ccccc2)C(N)=O)cn1
InChIInChI=1S/C15H13N3O/c16-9-13-7-6-12(10-18-13)14(15(17)19)8-11-4-2-1-3-5-11/h1-7,10,14H,8H2,(H2,17,19)
InChIKeyZKHQRQKAVKRHMS-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.76
Rot. Bonds4

About 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide

2-(6-cyano-3-pyridinyl)-3-phenylpropanamide (PubChem CID 154724655) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(6-cyano-3-pyridinyl)-3-phenylpropanamide
PubChem CID154724655
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(6-cyano-3-pyridinyl)-3-phenylpropanamide
SMILESN#Cc1ccc(C(Cc2ccccc2)C(N)=O)cn1
InChIInChI=1S/C15H13N3O/c16-9-13-7-6-12(10-18-13)14(15(17)19)8-11-4-2-1-3-5-11/h1-7,10,14H,8H2,(H2,17,19)
InChIKeyZKHQRQKAVKRHMS-UHFFFAOYSA-N
XLogP1.76
TPSA79.77 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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3-pyridinyl)-3-phenylpropanamide
CID 69080693
2-(4-aminophenyl)-3-phenylpropanamide
CID 82020975
3-phenyl-2-(1H-pyrazol-4-yl)propanamide
CID 91102712
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide
CID 154726104
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile
CID 54542104
5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile
CID 157476958
2-methyl-3-phenylpropanoyl cyanide
CID 130030635
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide?
The IUPAC name of 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide (CID 154724655) is 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide is N#Cc1ccc(C(Cc2ccccc2)C(N)=O)cn1.
What is the InChIKey of 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide?
The InChIKey is ZKHQRQKAVKRHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-9-13-7-6-12(10-18-13)14(15(17)19)8-11-4-2-1-3-5-11/h1-7,10,14H,8H2,(H2,17,19).
What are the key properties of 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide?
2-(6-cyano-3-pyridinyl)-3-phenylpropanamide has a molecular weight of 251.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-3-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 154724655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).