2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide

C13H17Cl2N3O — CID 78907821

IUPAC2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c1-8-4-3-5-9(2)18(8)17-13(19)10-6-11(14)16-12(15)7-10/h6-9H,3-5H2,1-2H3,(H,17,19)
InChIKeyPFPMNAPVEZBXPZ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.30
Rot. Bonds2

About 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide

2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 78907821) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
PubChem CID78907821
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c1-8-4-3-5-9(2)18(8)17-13(19)10-6-11(14)16-12(15)7-10/h6-9H,3-5H2,1-2H3,(H,17,19)
InChIKeyPFPMNAPVEZBXPZ-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.30
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

3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
CID 107953127
N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 83015630
N-(2,6-dimethylpiperidin-1-yl)-5-hydroxypyridine-3-carboxamide
CID 83016419
N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzamide
CID 78909911
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydroxybenzamide
CID 115279907
5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78906628
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
2,6-dichloro-N-piperidin-1-ylpyridine-4-carboxamide
CID 2781660
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-6-carboxamide
CID 83023464
2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78907835
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
N-(2,6-dimethylpiperidin-1-yl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 83018836

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide (CID 78907821) is 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide is CC1CCCC(C)N1NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is PFPMNAPVEZBXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-8-4-3-5-9(2)18(8)17-13(19)10-6-11(14)16-12(15)7-10/h6-9H,3-5H2,1-2H3,(H,17,19).
What are the key properties of 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 78907821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).