1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C18H19ClN4O2 — CID 55895416

IUPAC1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C18H19ClN4O2/c1-12-4-2-7-21-16(12)22-17(24)14-5-3-9-23(11-14)18(25)13-6-8-20-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11H2,1H3,(H,21,22,24)
InChIKeyRYKMTXHWPMLDCH-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.93
Rot. Bonds3

About 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55895416) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55895416
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C18H19ClN4O2/c1-12-4-2-7-21-16(12)22-17(24)14-5-3-9-23(11-14)18(25)13-6-8-20-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11H2,1H3,(H,21,22,24)
InChIKeyRYKMTXHWPMLDCH-UHFFFAOYSA-N
XLogP2.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
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-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162435
(3R)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162433
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 49161889
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 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55895416) is 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)c2ccnc(Cl)c2)C1.
What is the InChIKey of 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is RYKMTXHWPMLDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-4-2-7-21-16(12)22-17(24)14-5-3-9-23(11-14)18(25)13-6-8-20-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11H2,1H3,(H,21,22,24).
What are the key properties of 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55895416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).