3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide

C15H13N3O2 — CID 143484074

IUPAC3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cn2)cc1C#N
InChIInChI=1S/C15H13N3O2/c1-10-3-6-14(17-9-10)18-15(19)11-4-5-13(20-2)12(7-11)8-16/h3-7,9H,1-2H3,(H,17,18,19)
InChIKeyDHPWGOYXMBXUFY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.52
Rot. Bonds3

About 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide

3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 143484074) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID143484074
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cn2)cc1C#N
InChIInChI=1S/C15H13N3O2/c1-10-3-6-14(17-9-10)18-15(19)11-4-5-13(20-2)12(7-11)8-16/h3-7,9H,1-2H3,(H,17,18,19)
InChIKeyDHPWGOYXMBXUFY-UHFFFAOYSA-N
XLogP2.52
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 81090786
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 113338779
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide (CID 143484074) is 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide is COc1ccc(C(=O)Nc2ccc(C)cn2)cc1C#N.
What is the InChIKey of 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is DHPWGOYXMBXUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-3-6-14(17-9-10)18-15(19)11-4-5-13(20-2)12(7-11)8-16/h3-7,9H,1-2H3,(H,17,18,19).
What are the key properties of 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 267.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 143484074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).