N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide

C19H17F4N3O2 — CID 71939394

IUPACN-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2cc(F)c(F)c(F)c2F)C1
InChIInChI=1S/C19H17F4N3O2/c1-10-4-2-6-24-17(10)25-18(27)11-5-3-7-26(9-11)19(28)12-8-13(20)15(22)16(23)14(12)21/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,24,25,27)
InChIKeyKCXAYOFIKXIMFC-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.44
Rot. Bonds3

About N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide

N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide (PubChem CID 71939394) has the molecular formula C19H17F4N3O2 and a molecular weight of 395.36 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
PubChem CID71939394
Molecular FormulaC19H17F4N3O2
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC NameN-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2cc(F)c(F)c(F)c2F)C1
InChIInChI=1S/C19H17F4N3O2/c1-10-4-2-6-24-17(10)25-18(27)11-5-3-7-26(9-11)19(28)12-8-13(20)15(22)16(23)14(12)21/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,24,25,27)
InChIKeyKCXAYOFIKXIMFC-UHFFFAOYSA-N
XLogP3.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60531808
1-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896427
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896431
(3R)-1-(1H-indazole-7-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52503770
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide
CID 55895405
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-[3-(2,5-dichlorophenyl)prop-2-enoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895665

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide (CID 71939394) is N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)c2cc(F)c(F)c(F)c2F)C1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is KCXAYOFIKXIMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O2/c1-10-4-2-6-24-17(10)25-18(27)11-5-3-7-26(9-11)19(28)12-8-13(20)15(22)16(23)14(12)21/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,24,25,27).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide?
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 71939394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).