2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide

C14H19Cl2N3O — CID 106993273

IUPAC2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-3-19-8-6-10(7-9-19)18(2)14(20)11-4-5-12(15)17-13(11)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyJNUFMPODHHZFKT-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.94
Rot. Bonds3

About 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide

2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide (PubChem CID 106993273) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
PubChem CID106993273
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-3-19-8-6-10(7-9-19)18(2)14(20)11-4-5-12(15)17-13(11)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyJNUFMPODHHZFKT-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.94
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

6-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 60724487
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 54877660
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051848
2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 106993833
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(methylamino)benzamide
CID 61377274
N-(1-ethylpiperidin-4-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55002979
2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385564
4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
CID 115369193
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 106993943
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606
N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
CID 107026589

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide (CID 106993273) is 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide is CCN1CCC(N(C)C(=O)c2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is JNUFMPODHHZFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-3-19-8-6-10(7-9-19)18(2)14(20)11-4-5-12(15)17-13(11)16/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide?
2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 106993273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).