3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide

C20H15N3O — CID 24965063

IUPAC3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3ccccc3)c(C#N)c2)n1
InChIInChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
InChIKeyKYTHDBXSBSSRTI-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.18
Rot. Bonds3

About 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide

3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide (PubChem CID 24965063) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide.

Molecular Properties

Compound Name3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide
PubChem CID24965063
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3ccccc3)c(C#N)c2)n1
InChIInChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)
InChIKeyKYTHDBXSBSSRTI-UHFFFAOYSA-N
XLogP4.18
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide?
The IUPAC name of 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide (CID 24965063) is 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide.
What is the SMILES notation for 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide?
The canonical SMILES for 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide is Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(C#N)c2)n1.
What is the InChIKey of 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide?
The InChIKey is KYTHDBXSBSSRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24).
What are the key properties of 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide?
3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide has a molecular weight of 313.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(6-methyl-2-pyridinyl)-4-phenylbenzamide is sourced from PubChem (CID 24965063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).