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

C16H16Cl2N2O — CID 1266538

IUPAC2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-4-11-5-7-12(8-6-11)20-16(21)13-9(2)14(17)10(3)19-15(13)18/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeySGYMNDQMDBSFGE-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.82
Rot. Bonds3

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

2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 1266538) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID1266538
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-4-11-5-7-12(8-6-11)20-16(21)13-9(2)14(17)10(3)19-15(13)18/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeySGYMNDQMDBSFGE-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide (CID 1266538) is 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide is CCc1ccc(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is SGYMNDQMDBSFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-4-11-5-7-12(8-6-11)20-16(21)13-9(2)14(17)10(3)19-15(13)18/h5-8H,4H2,1-3H3,(H,20,21).
What are the key properties of 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide?
2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 1266538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).