1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide

C22H21ClN4O2 — CID 55808313

IUPAC1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C22H21ClN4O2/c1-14-18(13-16-12-17(23)5-6-19(16)25-14)22(29)27-10-7-15(8-11-27)21(28)26-20-4-2-3-9-24-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,24,26,28)
InChIKeySDZHRRCWGODBIG-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.08
Rot. Bonds3

About 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide

1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55808313) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55808313
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C22H21ClN4O2/c1-14-18(13-16-12-17(23)5-6-19(16)25-14)22(29)27-10-7-15(8-11-27)21(28)26-20-4-2-3-9-24-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,24,26,28)
InChIKeySDZHRRCWGODBIG-UHFFFAOYSA-N
XLogP4.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
CID 55930636
[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662060
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742
(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 41337289
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51123650
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
1-(2-oxo-1H-quinoline-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 71893089
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
1-(5-benzyl-2-hydroxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51132718

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55808313) is 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is SDZHRRCWGODBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-14-18(13-16-12-17(23)5-6-19(16)25-14)22(29)27-10-7-15(8-11-27)21(28)26-20-4-2-3-9-24-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,24,26,28).
What are the key properties of 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55808313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).