2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide

C13H12FN3O2 — CID 47246328

IUPAC2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C13H12FN3O2/c1-19-17-13(18)11-6-3-7-15-12(11)16-10-5-2-4-9(14)8-10/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeySNDQQOIYMJVPOE-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.26
Rot. Bonds4

About 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide

2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide (PubChem CID 47246328) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
PubChem CID47246328
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C13H12FN3O2/c1-19-17-13(18)11-6-3-7-15-12(11)16-10-5-2-4-9(14)8-10/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeySNDQQOIYMJVPOE-UHFFFAOYSA-N
XLogP2.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 51119906
N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide
CID 55791759
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 86898718
methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate
CID 90092866
2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 86896790
N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 60509420
4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 75422007

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide (CID 47246328) is 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide is CONC(=O)c1cccnc1Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide?
The InChIKey is SNDQQOIYMJVPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-17-13(18)11-6-3-7-15-12(11)16-10-5-2-4-9(14)8-10/h2-8H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide?
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide is sourced from PubChem (CID 47246328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).