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

C14H19Cl2N3O — CID 60693528

IUPAC3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCCN1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-2-7-19-8-5-10(6-9-19)17-14(20)13-11(15)3-4-12(16)18-13/h3-4,10H,2,5-9H2,1H3,(H,17,20)
InChIKeyPEJJPCVJDHOXJI-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.99
Rot. Bonds4

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

3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 60693528) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID60693528
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCCN1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-2-7-19-8-5-10(6-9-19)17-14(20)13-11(15)3-4-12(16)18-13/h3-4,10H,2,5-9H2,1H3,(H,17,20)
InChIKeyPEJJPCVJDHOXJI-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-chloro-6-(methylamino)-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 62178316
3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 51255447
3-chloro-6-ethoxy-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 51092006
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
6-amino-3-chloro-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 62155799
3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 66484717
3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 1397872
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 62241494
3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 104693580
3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
(E)-3-(3,4-dichlorophenyl)-N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 9264869

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide (CID 60693528) is 3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide is CCCN1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is PEJJPCVJDHOXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-2-7-19-8-5-10(6-9-19)17-14(20)13-11(15)3-4-12(16)18-13/h3-4,10H,2,5-9H2,1H3,(H,17,20).
What are the key properties of 3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 2.99, 4 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-propylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 60693528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).