5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

C15H14Cl2N2O2 — CID 60631233

IUPAC5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-19(9-10-3-5-12(21-2)6-4-10)15(20)11-7-13(16)14(17)18-8-11/h3-8H,9H2,1-2H3
InChIKeyXRTGXRNJEWSKRB-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.67
Rot. Bonds4

About 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 60631233) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID60631233
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-19(9-10-3-5-12(21-2)6-4-10)15(20)11-7-13(16)14(17)18-8-11/h3-8H,9H2,1-2H3
InChIKeyXRTGXRNJEWSKRB-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.67
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

5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 16626042
(4-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8881479
N-[(4-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24641346
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 55030990
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243474
5,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47442951

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 60631233) is 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is COc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is XRTGXRNJEWSKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-19(9-10-3-5-12(21-2)6-4-10)15(20)11-7-13(16)14(17)18-8-11/h3-8H,9H2,1-2H3.
What are the key properties of 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.67, 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-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 60631233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).