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

C15H21Cl2N3O — CID 61044792

IUPAC2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-3-6-20-7-4-12(5-8-20)19(2)15(21)11-9-13(16)18-14(17)10-11/h9-10,12H,3-8H2,1-2H3
InChIKeyQHHVOLSPGJXYMV-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.33
Rot. Bonds4

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

2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 61044792) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID61044792
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-3-6-20-7-4-12(5-8-20)19(2)15(21)11-9-13(16)18-14(17)10-11/h9-10,12H,3-8H2,1-2H3
InChIKeyQHHVOLSPGJXYMV-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

3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
2-amino-6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 62155383
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
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
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
2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide
CID 86887959
2-chloro-N-cyclopropyl-6-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243916

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide (CID 61044792) is 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide is CCCN1CCC(N(C)C(=O)c2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is QHHVOLSPGJXYMV-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)18-14(17)10-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-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 2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 61044792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).