5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide

C15H13N3O3 — CID 63716894

IUPAC5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C#N)cn2)cc(OC)c1
InChIInChI=1S/C15H13N3O3/c1-20-12-5-11(6-13(7-12)21-2)18-15(19)14-4-3-10(8-16)9-17-14/h3-7,9H,1-2H3,(H,18,19)
InChIKeyXHUZDDVAMWZBEE-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.22
Rot. Bonds4

About 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide

5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 63716894) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID63716894
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C#N)cn2)cc(OC)c1
InChIInChI=1S/C15H13N3O3/c1-20-12-5-11(6-13(7-12)21-2)18-15(19)14-4-3-10(8-16)9-17-14/h3-7,9H,1-2H3,(H,18,19)
InChIKeyXHUZDDVAMWZBEE-UHFFFAOYSA-N
XLogP2.22
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200223
5-cyano-N-quinolin-3-ylpyridine-2-carboxamide
CID 63719125
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide
CID 142608157
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide (CID 63716894) is 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2ccc(C#N)cn2)cc(OC)c1.
What is the InChIKey of 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is XHUZDDVAMWZBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-12-5-11(6-13(7-12)21-2)18-15(19)14-4-3-10(8-16)9-17-14/h3-7,9H,1-2H3,(H,18,19).
What are the key properties of 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 63716894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).