N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide

C23H23ClN4O2 — CID 55930636

IUPACN-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2c1
InChIInChI=1S/C23H23ClN4O2/c1-14-3-5-20-17(11-14)12-19(15(2)26-20)23(30)28-9-7-16(8-10-28)22(29)27-21-6-4-18(24)13-25-21/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,27,29)
InChIKeyOKMPXGRABXUUHZ-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.39
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55930636) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
PubChem CID55930636
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2c1
InChIInChI=1S/C23H23ClN4O2/c1-14-3-5-20-17(11-14)12-19(15(2)26-20)23(30)28-9-7-16(8-10-28)22(29)27-21-6-4-18(24)13-25-21/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,27,29)
InChIKeyOKMPXGRABXUUHZ-UHFFFAOYSA-N
XLogP4.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808313
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
N-(5-chloro-2-pyridinyl)-1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 136525935
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55813120
[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662060
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 55812719
N-(5-chloro-2-pyridinyl)-1-(4-fluoro-2-iodobenzoyl)piperidine-4-carboxamide
CID 55925189
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide (CID 55930636) is N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide is Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is OKMPXGRABXUUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-14-3-5-20-17(11-14)12-19(15(2)26-20)23(30)28-9-7-16(8-10-28)22(29)27-21-6-4-18(24)13-25-21/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,27,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55930636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).