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

C13H12FN3O2 — CID 114840722

IUPAC2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(N)c2)ccc1F
InChIInChI=1S/C13H12FN3O2/c1-19-11-7-9(2-3-10(11)14)17-13(18)8-4-5-16-12(15)6-8/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyYDEQFPHKTMTQED-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.06
Rot. Bonds3

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

2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 114840722) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
PubChem CID114840722
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(N)c2)ccc1F
InChIInChI=1S/C13H12FN3O2/c1-19-11-7-9(2-3-10(11)14)17-13(18)8-4-5-16-12(15)6-8/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyYDEQFPHKTMTQED-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-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 42645473
2-amino-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 62187195
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide (CID 114840722) is 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide is COc1cc(NC(=O)c2ccnc(N)c2)ccc1F.
What is the InChIKey of 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is YDEQFPHKTMTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-11-7-9(2-3-10(11)14)17-13(18)8-4-5-16-12(15)6-8/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide?
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-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 2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114840722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).