1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide

C12H13Cl2N3O2 — CID 43079586

IUPAC1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H13Cl2N3O2/c13-9-4-8(5-16-10(9)14)12(19)17-3-1-2-7(6-17)11(15)18/h4-5,7H,1-3,6H2,(H2,15,18)
InChIKeyYFLURLZRVCYXNG-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.73
Rot. Bonds2

About 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide

1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 43079586) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
PubChem CID43079586
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H13Cl2N3O2/c13-9-4-8(5-16-10(9)14)12(19)17-3-1-2-7(6-17)11(15)18/h4-5,7H,1-3,6H2,(H2,15,18)
InChIKeyYFLURLZRVCYXNG-UHFFFAOYSA-N
XLogP1.73
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide
CID 125436986
1-(2-chloro-5-nitropyridine-3-carbonyl)piperidine-3-carboxamide
CID 103817054
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900302
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 75421699
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide
CID 62088855

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide (CID 43079586) is 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is YFLURLZRVCYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c13-9-4-8(5-16-10(9)14)12(19)17-3-1-2-7(6-17)11(15)18/h4-5,7H,1-3,6H2,(H2,15,18).
What are the key properties of 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide?
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 302.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43079586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).