N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

C16H15Cl2N3O2 — CID 1266530

IUPACN-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)NC(=O)NCc2ccccc2)c(C)c1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-9-12(14(18)20-10(2)13(9)17)15(22)21-16(23)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,19,21,22,23)
InChIKeyJHVLFRJBHJATOM-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.64
Rot. Bonds3

About N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide (PubChem CID 1266530) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
PubChem CID1266530
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC NameN-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)NC(=O)NCc2ccccc2)c(C)c1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-9-12(14(18)20-10(2)13(9)17)15(22)21-16(23)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,19,21,22,23)
InChIKeyJHVLFRJBHJATOM-UHFFFAOYSA-N
XLogP3.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide (CID 1266530) is N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide is Cc1nc(Cl)c(C(=O)NC(=O)NCc2ccccc2)c(C)c1Cl.
What is the InChIKey of N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is JHVLFRJBHJATOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-9-12(14(18)20-10(2)13(9)17)15(22)21-16(23)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,19,21,22,23).
What are the key properties of N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 1266530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).