2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide

C14H19Cl2N3O — CID 106993833

IUPAC2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-7-5-10(6-8-18)9-19(2)14(20)11-3-4-12(15)17-13(11)16/h3-4,10H,5-9H2,1-2H3
InChIKeyURFSUKIKJQJUFH-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.80
Rot. Bonds3

About 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide

2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 106993833) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID106993833
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-7-5-10(6-8-18)9-19(2)14(20)11-3-4-12(15)17-13(11)16/h3-4,10H,5-9H2,1-2H3
InChIKeyURFSUKIKJQJUFH-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
5-bromo-2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 63236918
3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235022
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 106993943
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234296
3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 62053831
2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 106993273
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63235520
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 106993833) is 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide is CN1CCC(CN(C)C(=O)c2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is URFSUKIKJQJUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-18-7-5-10(6-8-18)9-19(2)14(20)11-3-4-12(15)17-13(11)16/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 2.80, 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-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 106993833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).