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

C13H17Cl2N3O — CID 79005722

IUPAC2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cl)nc(Cl)c2)CCN1C
InChIInChI=1S/C13H17Cl2N3O/c1-8-5-10(3-4-18(8)2)16-13(19)9-6-11(14)17-12(15)7-9/h6-8,10H,3-5H2,1-2H3,(H,16,19)
InChIKeyVZHZKFIFJHLNEU-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.60
Rot. Bonds2

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

2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 79005722) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID79005722
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cl)nc(Cl)c2)CCN1C
InChIInChI=1S/C13H17Cl2N3O/c1-8-5-10(3-4-18(8)2)16-13(19)9-6-11(14)17-12(15)7-9/h6-8,10H,3-5H2,1-2H3,(H,16,19)
InChIKeyVZHZKFIFJHLNEU-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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

3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dichloropyridine-4-carboxamide
CID 112731766
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
CID 79005771
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide
CID 79005458
2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 62241494

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide (CID 79005722) is 2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide is CC1CC(NC(=O)c2cc(Cl)nc(Cl)c2)CCN1C.
What is the InChIKey of 2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is VZHZKFIFJHLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-8-5-10(3-4-18(8)2)16-13(19)9-6-11(14)17-12(15)7-9/h6-8,10H,3-5H2,1-2H3,(H,16,19).
What are the key properties of 2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 2.60, 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-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 79005722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).