N-(3-methoxyphenyl)pyridine-3-carboxamide

C13H12N2O2 — CID 668900

IUPACN-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-6-2-5-11(8-12)15-13(16)10-4-3-7-14-9-10/h2-9H,1H3,(H,15,16)
InChIKeyPSTUKXJBMHKBAR-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.34
Rot. Bonds3

About N-(3-methoxyphenyl)pyridine-3-carboxamide

N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 668900) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID668900
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-6-2-5-11(8-12)15-13(16)10-4-3-7-14-9-10/h2-9H,1H3,(H,15,16)
InChIKeyPSTUKXJBMHKBAR-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 668900) is N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is PSTUKXJBMHKBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-12-6-2-5-11(8-12)15-13(16)10-4-3-7-14-9-10/h2-9H,1H3,(H,15,16).
What are the key properties of N-(3-methoxyphenyl)pyridine-3-carboxamide?
N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 668900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).