N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide

C14H10FN3O2 — CID 107467316

IUPACN-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1ccncc1F
InChIInChI=1S/C14H10FN3O2/c1-20-12-4-2-3-9(7-16)13(12)18-14(19)10-5-6-17-8-11(10)15/h2-6,8H,1H3,(H,18,19)
InChIKeyRNSFYVZUJZRTKD-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.35
Rot. Bonds3

About N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide

N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 107467316) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID107467316
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC NameN-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1ccncc1F
InChIInChI=1S/C14H10FN3O2/c1-20-12-4-2-3-9(7-16)13(12)18-14(19)10-5-6-17-8-11(10)15/h2-6,8H,1H3,(H,18,19)
InChIKeyRNSFYVZUJZRTKD-UHFFFAOYSA-N
XLogP2.35
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107466376
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 107466425
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
CID 122301656
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 81315197

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide (CID 107467316) is N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide is COc1cccc(C#N)c1NC(=O)c1ccncc1F.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is RNSFYVZUJZRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-20-12-4-2-3-9(7-16)13(12)18-14(19)10-5-6-17-8-11(10)15/h2-6,8H,1H3,(H,18,19).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 271.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 107467316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).