2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide

C13H8Cl3N3O2 — CID 21325138

IUPAC2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1ccc(Cl)nc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl3N3O2/c14-7-1-3-8(4-2-7)17-13(21)19-12(20)9-5-6-10(15)18-11(9)16/h1-6H,(H2,17,19,20,21)
InChIKeyRIFFJUSVCGGURR-UHFFFAOYSA-N
MW344.59 g/mol
LogP4.00
Rot. Bonds2

About 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide

2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide (PubChem CID 21325138) has the molecular formula C13H8Cl3N3O2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
PubChem CID21325138
Molecular FormulaC13H8Cl3N3O2
Molecular Weight344.59 g/mol
Exact Mass342.97
IUPAC Name2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1ccc(Cl)nc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl3N3O2/c14-7-1-3-8(4-2-7)17-13(21)19-12(20)9-5-6-10(15)18-11(9)16/h1-6H,(H2,17,19,20,21)
InChIKeyRIFFJUSVCGGURR-UHFFFAOYSA-N
XLogP4.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 54.00
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

2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
CID 2800108
2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 113227258
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 106993306
2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 86846798
N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
1-(2,6-dichloro-3-pyridinyl)-2,2,2-trifluoroethanone
CID 71301905
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide (CID 21325138) is 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide is O=C(NC(=O)c1ccc(Cl)nc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide?
The InChIKey is RIFFJUSVCGGURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3O2/c14-7-1-3-8(4-2-7)17-13(21)19-12(20)9-5-6-10(15)18-11(9)16/h1-6H,(H2,17,19,20,21).
What are the key properties of 2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide?
2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide has a molecular weight of 344.59 g/mol, XLogP of 4.00, 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-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 21325138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).