6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

C16H9F3N6O — CID 166481443

IUPAC6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESN#Cc1cncn1-c1cccc(C(=O)Nc2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C16H9F3N6O/c17-16(18,19)13-5-4-10(7-22-13)23-15(26)12-2-1-3-14(24-12)25-9-21-8-11(25)6-20/h1-5,7-9H,(H,23,26)
InChIKeyKLYZPKYFGUHLLW-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.81
Rot. Bonds3

About 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 166481443) has the molecular formula C16H9F3N6O and a molecular weight of 358.28 g/mol. Its IUPAC name is 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID166481443
Molecular FormulaC16H9F3N6O
Molecular Weight358.28 g/mol
Exact Mass358.08
IUPAC Name6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESN#Cc1cncn1-c1cccc(C(=O)Nc2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C16H9F3N6O/c17-16(18,19)13-5-4-10(7-22-13)23-15(26)12-2-1-3-14(24-12)25-9-21-8-11(25)6-20/h1-5,7-9H,(H,23,26)
InChIKeyKLYZPKYFGUHLLW-UHFFFAOYSA-N
XLogP2.81
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167983417
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
3-methyl-6-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 166481330
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
CID 170719912
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
CID 82812057
2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 166481504
3-cyano-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
CID 91629091
3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 171571731

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 166481443) is 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is N#Cc1cncn1-c1cccc(C(=O)Nc2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is KLYZPKYFGUHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N6O/c17-16(18,19)13-5-4-10(7-22-13)23-15(26)12-2-1-3-14(24-12)25-9-21-8-11(25)6-20/h1-5,7-9H,(H,23,26).
What are the key properties of 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 358.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 166481443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).