5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide

C15H13N3O2 — CID 63717646

IUPAC5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(C#N)cn2)c1
InChIInChI=1S/C15H13N3O2/c1-20-13-4-2-3-11(7-13)9-18-15(19)14-6-5-12(8-16)10-17-14/h2-7,10H,9H2,1H3,(H,18,19)
InChIKeyMQDVWQQTINWLLG-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.89
Rot. Bonds4

About 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide

5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 63717646) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID63717646
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(C#N)cn2)c1
InChIInChI=1S/C15H13N3O2/c1-20-13-4-2-3-11(7-13)9-18-15(19)14-6-5-12(8-16)10-17-14/h2-7,10H,9H2,1H3,(H,18,19)
InChIKeyMQDVWQQTINWLLG-UHFFFAOYSA-N
XLogP1.89
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193758
[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
CID 69160390
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 63717646) is 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1cccc(CNC(=O)c2ccc(C#N)cn2)c1.
What is the InChIKey of 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is MQDVWQQTINWLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-13-4-2-3-11(7-13)9-18-15(19)14-6-5-12(8-16)10-17-14/h2-7,10H,9H2,1H3,(H,18,19).
What are the key properties of 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63717646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).