1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide

C13H15Cl2N3O2 — CID 60749477

IUPAC1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2/c1-16-12(19)10-4-2-3-5-18(10)13(20)8-6-9(14)11(15)17-7-8/h6-7,10H,2-5H2,1H3,(H,16,19)
InChIKeyCXSKZWRAFWUBBQ-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.13
Rot. Bonds2

About 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide

1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 60749477) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID60749477
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2/c1-16-12(19)10-4-2-3-5-18(10)13(20)8-6-9(14)11(15)17-7-8/h6-7,10H,2-5H2,1H3,(H,16,19)
InChIKeyCXSKZWRAFWUBBQ-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 60733404
methyl 1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43388589
4-(5,6-dichloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097617
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 61053437
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61052177
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5,6-dichloro-3-pyridinyl)methanone
CID 78989235
N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 171851711
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290
(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330677
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide (CID 60749477) is 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is CXSKZWRAFWUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-16-12(19)10-4-2-3-5-18(10)13(20)8-6-9(14)11(15)17-7-8/h6-7,10H,2-5H2,1H3,(H,16,19).
What are the key properties of 1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide?
1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 2.13, 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)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 60749477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).