N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide

C15H21Cl2N3O — CID 61042495

IUPACN-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-15(2,3)20-6-4-11(5-7-20)18-14(21)10-8-12(16)19-13(17)9-10/h8-9,11H,4-7H2,1-3H3,(H,18,21)
InChIKeyXOXIIJSNOGBRPL-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.38
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide

N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide (PubChem CID 61042495) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
PubChem CID61042495
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-15(2,3)20-6-4-11(5-7-20)18-14(21)10-8-12(16)19-13(17)9-10/h8-9,11H,4-7H2,1-3H3,(H,18,21)
InChIKeyXOXIIJSNOGBRPL-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.38
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

2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
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
5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
CID 61034621
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 62241494

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide (CID 61042495) is N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide is CC(C)(C)N1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide?
The InChIKey is XOXIIJSNOGBRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-15(2,3)20-6-4-11(5-7-20)18-14(21)10-8-12(16)19-13(17)9-10/h8-9,11H,4-7H2,1-3H3,(H,18,21).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide?
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide has a molecular weight of 330.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide is sourced from PubChem (CID 61042495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).