2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide

C14H11FN4O2 — CID 105387348

IUPAC2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C14H11FN4O2/c1-21-11-6-8(7-16)2-3-10(11)19-14(20)9-4-5-18-13(17)12(9)15/h2-6H,1H3,(H2,17,18)(H,19,20)
InChIKeyQHJCFUFBBWZPOP-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide

2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 105387348) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID105387348
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C14H11FN4O2/c1-21-11-6-8(7-16)2-3-10(11)19-14(20)9-4-5-18-13(17)12(9)15/h2-6H,1H3,(H2,17,18)(H,19,20)
InChIKeyQHJCFUFBBWZPOP-UHFFFAOYSA-N
XLogP1.94
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
3-fluoro-N-(4-fluoro-2-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105388058
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 105384040
2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 104848874
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide (CID 105387348) is 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide is COc1cc(C#N)ccc1NC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is QHJCFUFBBWZPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-21-11-6-8(7-16)2-3-10(11)19-14(20)9-4-5-18-13(17)12(9)15/h2-6H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 286.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105387348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).