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

C13H11FN2O2 — CID 61293421

IUPAC2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C13H11FN2O2/c1-18-11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17)
InChIKeyUBXNMCZUGINBAH-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.48
Rot. Bonds3

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

2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 61293421) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID61293421
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C13H11FN2O2/c1-18-11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17)
InChIKeyUBXNMCZUGINBAH-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

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
CID 96565912
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174963
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide (CID 61293421) is 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(F)c2)cc1.
What is the InChIKey of 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is UBXNMCZUGINBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-18-11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide?
2-fluoro-N-(4-methoxyphenyl)pyridine-4-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 2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 61293421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).