2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide

C14H9Cl4N3O2 — CID 2781768

IUPAC2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl4N3O2/c1-6-4-10(17)20-12(18)11(6)13(22)21-14(23)19-9-3-2-7(15)5-8(9)16/h2-5H,1H3,(H2,19,21,22,23)
InChIKeyJNSQLNCLKPAQRY-UHFFFAOYSA-N
MW393.06 g/mol
LogP4.97
Rot. Bonds2

About 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide

2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide (PubChem CID 2781768) has the molecular formula C14H9Cl4N3O2 and a molecular weight of 393.06 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide
PubChem CID2781768
Molecular FormulaC14H9Cl4N3O2
Molecular Weight393.06 g/mol
Exact Mass390.94
IUPAC Name2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl4N3O2/c1-6-4-10(17)20-12(18)11(6)13(22)21-14(23)19-9-3-2-7(15)5-8(9)16/h2-5H,1H3,(H2,19,21,22,23)
InChIKeyJNSQLNCLKPAQRY-UHFFFAOYSA-N
XLogP4.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.06
LogP ≤ 54.97
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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Related Compounds

1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
4-[(2,4-dichlorophenyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300019
1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea
CID 91621924
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea
CID 2781467
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
1-(2,4-dichlorophenyl)-3-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]urea
CID 135643746

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide (CID 2781768) is 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide is Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide?
The InChIKey is JNSQLNCLKPAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4N3O2/c1-6-4-10(17)20-12(18)11(6)13(22)21-14(23)19-9-3-2-7(15)5-8(9)16/h2-5H,1H3,(H2,19,21,22,23).
What are the key properties of 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide?
2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide has a molecular weight of 393.06 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 2781768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).