N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide

C13H11FN2O2 — CID 42644786

IUPACN-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccccn2)ccc1F
InChIInChI=1S/C13H11FN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
InChIKeyPPWLYNRCVNCXAA-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.48
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide

N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 42644786) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide
PubChem CID42644786
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccccn2)ccc1F
InChIInChI=1S/C13H11FN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
InChIKeyPPWLYNRCVNCXAA-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide (CID 42644786) is N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2ccccn2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is PPWLYNRCVNCXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide?
N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 42644786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).