4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide

C15H13N3O — CID 14593012

IUPAC4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C15H13N3O/c1-10-7-11(2)17-14(8-10)18-15(19)13-5-3-12(9-16)4-6-13/h3-8H,1-2H3,(H,17,18,19)
InChIKeyWGPNDSFRBUAARQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.82
Rot. Bonds2

About 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide

4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide (PubChem CID 14593012) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
PubChem CID14593012
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C15H13N3O/c1-10-7-11(2)17-14(8-10)18-15(19)13-5-3-12(9-16)4-6-13/h3-8H,1-2H3,(H,17,18,19)
InChIKeyWGPNDSFRBUAARQ-UHFFFAOYSA-N
XLogP2.82
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide
CID 10586174
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
N-(4,6-dimethyl-2-pyridinyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114933274
N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide
CID 115750579
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 114932174
4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 2150716
3-acetamido-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 13177101
N-(6-chloropyrazin-2-yl)-4-cyanobenzamide
CID 115599289
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928
4-cyano-N-(1,2-oxazol-3-yl)benzamide
CID 60660035
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 3565218

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The IUPAC name of 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide (CID 14593012) is 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide is Cc1cc(C)nc(NC(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The InChIKey is WGPNDSFRBUAARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-7-11(2)17-14(8-10)18-15(19)13-5-3-12(9-16)4-6-13/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide?
4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide is sourced from PubChem (CID 14593012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).