4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C18H13F3N4O — CID 171091333

IUPAC4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cccc(-c2ncccc2-c2cc(C(N)=O)nc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N4O/c1-10-4-2-6-13(24-10)16-12(5-3-7-23-16)11-8-14(17(22)26)25-15(9-11)18(19,20)21/h2-9H,1H3,(H2,22,26)
InChIKeyLCAJCMMHECOINO-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.63
Rot. Bonds3

About 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide

4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 171091333) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID171091333
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cccc(-c2ncccc2-c2cc(C(N)=O)nc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N4O/c1-10-4-2-6-13(24-10)16-12(5-3-7-23-16)11-8-14(17(22)26)25-15(9-11)18(19,20)21/h2-9H,1H3,(H2,22,26)
InChIKeyLCAJCMMHECOINO-UHFFFAOYSA-N
XLogP3.63
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lgh-447
CID 44814409
Bupicomide
CID 31447
Lsn2463359
CID 72551298
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
Di-2-pyridyl ketone benzoylhydrazone
CID 688285
Piberaline
CID 65975
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 171091333) is 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1cccc(-c2ncccc2-c2cc(C(N)=O)nc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LCAJCMMHECOINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-10-4-2-6-13(24-10)16-12(5-3-7-23-16)11-8-14(17(22)26)25-15(9-11)18(19,20)21/h2-9H,1H3,(H2,22,26).
What are the key properties of 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 171091333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).