2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide

C14H13FN2O2 — CID 114037696

IUPAC2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2F)c(C)c1
InChIInChI=1S/C14H13FN2O2/c1-9-8-10(19-2)5-6-12(9)17-14(18)11-4-3-7-16-13(11)15/h3-8H,1-2H3,(H,17,18)
InChIKeyKXURIGDYCCOLOE-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.79
Rot. Bonds3

About 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide

2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 114037696) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
PubChem CID114037696
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2F)c(C)c1
InChIInChI=1S/C14H13FN2O2/c1-9-8-10(19-2)5-6-12(9)17-14(18)11-4-3-7-16-13(11)15/h3-8H,1-2H3,(H,17,18)
InChIKeyKXURIGDYCCOLOE-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
6-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 63978415
2-bromo-N-(2-methyl-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103754715
4-amino-N-(4-methoxy-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240718
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
2-fluoro-6-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 104917345
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 114050876
2-hydroxy-4-methoxy-N-(8-methylquinolin-5-yl)benzamide
CID 112812578
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide
CID 38266685
2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
CID 52765868
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide (CID 114037696) is 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2F)c(C)c1.
What is the InChIKey of 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is KXURIGDYCCOLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-8-10(19-2)5-6-12(9)17-14(18)11-4-3-7-16-13(11)15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide?
2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 114037696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).