3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

C14H19Cl2N3O — CID 51255447

IUPAC3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-9(2)19-7-5-10(6-8-19)17-14(20)13-11(15)3-4-12(16)18-13/h3-4,9-10H,5-8H2,1-2H3,(H,17,20)
InChIKeyFXHKCFCMAUJQRI-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.99
Rot. Bonds3

About 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 51255447) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID51255447
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-9(2)19-7-5-10(6-8-19)17-14(20)13-11(15)3-4-12(16)18-13/h3-4,9-10H,5-8H2,1-2H3,(H,17,20)
InChIKeyFXHKCFCMAUJQRI-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.99
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

3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
6-amino-3-chloro-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 62155799
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 107240375
3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 104693580
6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610852
2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide
CID 155556170
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide
CID 54898284
3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
CID 113346386
6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610856
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 17173512

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (CID 51255447) is 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is CC(C)N1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is FXHKCFCMAUJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-9(2)19-7-5-10(6-8-19)17-14(20)13-11(15)3-4-12(16)18-13/h3-4,9-10H,5-8H2,1-2H3,(H,17,20).
What are the key properties of 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 51255447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).