N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide

C13H12FN3O2 — CID 105062950

IUPACN-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H12FN3O2/c1-19-12-7-16-5-4-9(12)13(18)17-11-6-8(15)2-3-10(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyAJTKWEPIGAXHLW-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.06
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide

N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105062950) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
PubChem CID105062950
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H12FN3O2/c1-19-12-7-16-5-4-9(12)13(18)17-11-6-8(15)2-3-10(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyAJTKWEPIGAXHLW-UHFFFAOYSA-N
XLogP2.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 64950063
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
N-(7-fluoro-3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-3-methoxypyridine-4-carboxamide
CID 166667339
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566
N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 64949895
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
CID 115368565
3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 105063309
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide (CID 105062950) is N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is AJTKWEPIGAXHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-12-7-16-5-4-9(12)13(18)17-11-6-8(15)2-3-10(11)14/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide?
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105062950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).