N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide

C23H23F3N2O2 — CID 69397632

IUPACN-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(C2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C23H23F3N2O2/c24-23(25,26)19-4-2-1-3-18(19)21(29)15-7-5-14(6-8-15)16-9-12-20(27-13-16)22(30)28-17-10-11-17/h1-4,9,12-15,17H,5-8,10-11H2,(H,28,30)
InChIKeyRLSACYAWVWVLHR-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.15
Rot. Bonds5

About N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide

N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 69397632) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID69397632
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC NameN-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(C2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C23H23F3N2O2/c24-23(25,26)19-4-2-1-3-18(19)21(29)15-7-5-14(6-8-15)16-9-12-20(27-13-16)22(30)28-17-10-11-17/h1-4,9,12-15,17H,5-8,10-11H2,(H,28,30)
InChIKeyRLSACYAWVWVLHR-UHFFFAOYSA-N
XLogP5.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxylic acid
CID 69400274
N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide
CID 69397773
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide
CID 69397935
N-[2-(aziridin-1-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide
CID 91417102
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
N-cyclopentyl-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109182289
cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106321029
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
N-cyclohexyl-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114168
(E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide
CID 67893783

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide (CID 69397632) is N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide is O=C(NC1CC1)c1ccc(C2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)cn1.
What is the InChIKey of N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is RLSACYAWVWVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c24-23(25,26)19-4-2-1-3-18(19)21(29)15-7-5-14(6-8-15)16-9-12-20(27-13-16)22(30)28-17-10-11-17/h1-4,9,12-15,17H,5-8,10-11H2,(H,28,30).
What are the key properties of N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide?
N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 69397632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).