N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C16H16F3N3O — CID 69375151

IUPACN-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccn1
InChIInChI=1S/C16H16F3N3O/c1-2-5-13(12-6-3-4-9-20-12)22-15(23)11-7-8-14(21-10-11)16(17,18)19/h3-4,6-10,13H,2,5H2,1H3,(H,22,23)
InChIKeyXTBBHYBHEOQBFR-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.77
Rot. Bonds5

About N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69375151) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID69375151
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccn1
InChIInChI=1S/C16H16F3N3O/c1-2-5-13(12-6-3-4-9-20-12)22-15(23)11-7-8-14(21-10-11)16(17,18)19/h3-4,6-10,13H,2,5H2,1H3,(H,22,23)
InChIKeyXTBBHYBHEOQBFR-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide
CID 166292590
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119667500
N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
CID 91775087
(2R)-3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 80749875
3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 43638815
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 69375151) is N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCC(NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XTBBHYBHEOQBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-2-5-13(12-6-3-4-9-20-12)22-15(23)11-7-8-14(21-10-11)16(17,18)19/h3-4,6-10,13H,2,5H2,1H3,(H,22,23).
What are the key properties of N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69375151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).