N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

C21H19ClN4O2 — CID 37419359

IUPACN-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc2cccnc12)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H19ClN4O2/c22-17-12-16-2-1-7-24-19(16)18(13-17)25-20(27)14-5-10-26(11-6-14)21(28)15-3-8-23-9-4-15/h1-4,7-9,12-14H,5-6,10-11H2,(H,25,27)
InChIKeyYYFXDUYRRBVBRH-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.77
Rot. Bonds3

About N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 37419359) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
PubChem CID37419359
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc2cccnc12)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H19ClN4O2/c22-17-12-16-2-1-7-24-19(16)18(13-17)25-20(27)14-5-10-26(11-6-14)21(28)15-3-8-23-9-4-15/h1-4,7-9,12-14H,5-6,10-11H2,(H,25,27)
InChIKeyYYFXDUYRRBVBRH-UHFFFAOYSA-N
XLogP3.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213
N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981565
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923
N-(6-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 43698576
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 51107660
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (CID 37419359) is N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)cc2cccnc12)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is YYFXDUYRRBVBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-12-16-2-1-7-24-19(16)18(13-17)25-20(27)14-5-10-26(11-6-14)21(28)15-3-8-23-9-4-15/h1-4,7-9,12-14H,5-6,10-11H2,(H,25,27).
What are the key properties of N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 37419359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).