N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide

C23H21F3N4O2 — CID 78891005

IUPACN-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cnc4ccccc4c3C(F)(F)F)CC2)nc1
InChIInChI=1S/C23H21F3N4O2/c1-14-6-7-19(28-12-14)29-21(31)15-8-10-30(11-9-15)22(32)17-13-27-18-5-3-2-4-16(18)20(17)23(24,25)26/h2-7,12-13,15H,8-11H2,1H3,(H,28,29,31)
InChIKeySGTBPIHONVIDSU-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.45
Rot. Bonds3

About N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide (PubChem CID 78891005) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
PubChem CID78891005
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cnc4ccccc4c3C(F)(F)F)CC2)nc1
InChIInChI=1S/C23H21F3N4O2/c1-14-6-7-19(28-12-14)29-21(31)15-8-10-30(11-9-15)22(32)17-13-27-18-5-3-2-4-16(18)20(17)23(24,25)26/h2-7,12-13,15H,8-11H2,1H3,(H,28,29,31)
InChIKeySGTBPIHONVIDSU-UHFFFAOYSA-N
XLogP4.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55810075
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78856397
oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 78844521
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810048
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51123650
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952
N-(5-methyl-2-pyridinyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 55810051
N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide
CID 78844945

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide (CID 78891005) is N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3cnc4ccccc4c3C(F)(F)F)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is SGTBPIHONVIDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-14-6-7-19(28-12-14)29-21(31)15-8-10-30(11-9-15)22(32)17-13-27-18-5-3-2-4-16(18)20(17)23(24,25)26/h2-7,12-13,15H,8-11H2,1H3,(H,28,29,31).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 78891005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).