2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C15H10F3N3O2 — CID 112523297

IUPAC2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(C#N)c1
InChIInChI=1S/C15H10F3N3O2/c1-23-13-3-2-10(15(16,17)18)7-12(13)21-14(22)9-4-5-20-11(6-9)8-19/h2-7H,1H3,(H,21,22)
InChIKeyLDFCZSQFTCCZEA-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.23
Rot. Bonds3

About 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 112523297) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID112523297
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(C#N)c1
InChIInChI=1S/C15H10F3N3O2/c1-23-13-3-2-10(15(16,17)18)7-12(13)21-14(22)9-4-5-20-11(6-9)8-19/h2-7H,1H3,(H,21,22)
InChIKeyLDFCZSQFTCCZEA-UHFFFAOYSA-N
XLogP3.23
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 38562779
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178333
2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 115115799
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147363
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 112523297) is 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is COc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(C#N)c1.
What is the InChIKey of 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is LDFCZSQFTCCZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-23-13-3-2-10(15(16,17)18)7-12(13)21-14(22)9-4-5-20-11(6-9)8-19/h2-7H,1H3,(H,21,22).
What are the key properties of 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 321.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 112523297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).