5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide

C15H21Cl2N3O — CID 61051847

IUPAC5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-3-6-20-7-4-12(5-8-20)19(2)15(21)11-9-13(16)14(17)18-10-11/h9-10,12H,3-8H2,1-2H3
InChIKeyOYBLOJDLJURJSV-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.33
Rot. Bonds4

About 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide

5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 61051847) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID61051847
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-3-6-20-7-4-12(5-8-20)19(2)15(21)11-9-13(16)14(17)18-10-11/h9-10,12H,3-8H2,1-2H3
InChIKeyOYBLOJDLJURJSV-UHFFFAOYSA-N
XLogP3.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
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-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 63978585
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051848
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
5-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 62166006
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
6-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 60724487
5-bromo-6-chloro-N-cyclopropyl-N-methylpyridine-3-carboxamide
CID 130550487
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918
5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79314462

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide (CID 61051847) is 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide is CCCN1CCC(N(C)C(=O)c2cnc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is OYBLOJDLJURJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-3-6-20-7-4-12(5-8-20)19(2)15(21)11-9-13(16)14(17)18-10-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 330.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 61051847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).