N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide

C22H16F3N3O2 — CID 69397773

IUPACN-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)nc2)cn1
InChIInChI=1S/C22H16F3N3O2/c23-22(24,25)17-4-2-1-3-16(17)20(29)18-9-5-13(11-26-18)14-6-10-19(27-12-14)21(30)28-15-7-8-15/h1-6,9-12,15H,7-8H2,(H,28,30)
InChIKeyORWHMEUMCZUZEV-UHFFFAOYSA-N
MW411.38 g/mol
LogP4.29
Rot. Bonds5

About N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide

N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 69397773) has the molecular formula C22H16F3N3O2 and a molecular weight of 411.38 g/mol. Its IUPAC name is N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID69397773
Molecular FormulaC22H16F3N3O2
Molecular Weight411.38 g/mol
Exact Mass411.12
IUPAC NameN-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)nc2)cn1
InChIInChI=1S/C22H16F3N3O2/c23-22(24,25)17-4-2-1-3-16(17)20(29)18-9-5-13(11-26-18)14-6-10-19(27-12-14)21(30)28-15-7-8-15/h1-6,9-12,15H,7-8H2,(H,28,30)
InChIKeyORWHMEUMCZUZEV-UHFFFAOYSA-N
XLogP4.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide
CID 69397632
N-cyclopentyl-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109182289
5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid
CID 69399073
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
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-phenylpyridine-2-carboxamide
CID 25164925
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109247396
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561789
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109295853
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide (CID 69397773) is N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide is O=C(NC1CC1)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)nc2)cn1.
What is the InChIKey of N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ORWHMEUMCZUZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2/c23-22(24,25)17-4-2-1-3-16(17)20(29)18-9-5-13(11-26-18)14-6-10-19(27-12-14)21(30)28-15-7-8-15/h1-6,9-12,15H,7-8H2,(H,28,30).
What are the key properties of N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide?
N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 411.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 69397773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).