2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide

C16H15N3O — CID 644795

IUPAC2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide
SMILESCc1ccccc1NC(=O)C(C#N)Cc1cccnc1
InChIInChI=1S/C16H15N3O/c1-12-5-2-3-7-15(12)19-16(20)14(10-17)9-13-6-4-8-18-11-13/h2-8,11,14H,9H2,1H3,(H,19,20)
InChIKeyNJTZMIHDOWMIPK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.71
Rot. Bonds4

About 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide

2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide (PubChem CID 644795) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide
PubChem CID644795
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide
SMILESCc1ccccc1NC(=O)C(C#N)Cc1cccnc1
InChIInChI=1S/C16H15N3O/c1-12-5-2-3-7-15(12)19-16(20)14(10-17)9-13-6-4-8-18-11-13/h2-8,11,14H,9H2,1H3,(H,19,20)
InChIKeyNJTZMIHDOWMIPK-UHFFFAOYSA-N
XLogP2.71
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide (CID 644795) is 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide is Cc1ccccc1NC(=O)C(C#N)Cc1cccnc1.
What is the InChIKey of 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide?
The InChIKey is NJTZMIHDOWMIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-5-2-3-7-15(12)19-16(20)14(10-17)9-13-6-4-8-18-11-13/h2-8,11,14H,9H2,1H3,(H,19,20).
What are the key properties of 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide?
2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide has a molecular weight of 265.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylphenyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 644795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).