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

C13H12FN3O2 — CID 62156147

IUPAC2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N)cc1F
InChIInChI=1S/C13H12FN3O2/c1-19-11-5-4-8(7-10(11)14)17-13(18)9-3-2-6-16-12(9)15/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyUCXMCCSMNGDAQG-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.06
Rot. Bonds3

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

2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 62156147) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID62156147
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N)cc1F
InChIInChI=1S/C13H12FN3O2/c1-19-11-5-4-8(7-10(11)14)17-13(18)9-3-2-6-16-12(9)15/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyUCXMCCSMNGDAQG-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

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Related Compounds

2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 43380395
4-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81242553
2-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154038
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide (CID 62156147) is 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2N)cc1F.
What is the InChIKey of 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is UCXMCCSMNGDAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-11-5-4-8(7-10(11)14)17-13(18)9-3-2-6-16-12(9)15/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide?
2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-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 2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62156147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).