N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide

C13H7Cl6N5O3 — CID 165098841

IUPACN-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
SMILESNC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C7H4Cl3N3O2.C6H3Cl3N2O/c8-3-1-2(4(9)12-5(3)10)6(14)13-7(11)15;7-3-1-2(6(10)12)4(8)11-5(3)9/h1H,(H3,11,13,14,15);1H,(H2,10,12)
InChIKeyXZBXORSIWDFVEY-UHFFFAOYSA-N
MW493.95 g/mol
LogP3.99
Rot. Bonds2

About N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide

N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide (PubChem CID 165098841) has the molecular formula C13H7Cl6N5O3 and a molecular weight of 493.95 g/mol. Its IUPAC name is N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
PubChem CID165098841
Molecular FormulaC13H7Cl6N5O3
Molecular Weight493.95 g/mol
Exact Mass490.87
IUPAC NameN-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
SMILESNC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C7H4Cl3N3O2.C6H3Cl3N2O/c8-3-1-2(4(9)12-5(3)10)6(14)13-7(11)15;7-3-1-2(6(10)12)4(8)11-5(3)9/h1H,(H3,11,13,14,15);1H,(H2,10,12)
InChIKeyXZBXORSIWDFVEY-UHFFFAOYSA-N
XLogP3.99
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-methoxy-2-methylpyridine-3-carboxamide
CID 130565231
2-amino-N-carbamoyl-3-chlorobenzamide
CID 82547464
2,6-dichloropyridine-3-carboxamide
CID 22142778
2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 163428284
2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide
CID 119016340
2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 119018698
N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
CID 61051510
2-chloro-5-hydroxybenzamide
CID 57422942
2,5,6-trichloro-N-[[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]pyridine-3-carboxamide
CID 168764668
3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136812221
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide?
The IUPAC name of N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide (CID 165098841) is N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide.
What is the SMILES notation for N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide?
The canonical SMILES for N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide is NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.
What is the InChIKey of N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide?
The InChIKey is XZBXORSIWDFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3N3O2.C6H3Cl3N2O/c8-3-1-2(4(9)12-5(3)10)6(14)13-7(11)15;7-3-1-2(6(10)12)4(8)11-5(3)9/h1H,(H3,11,13,14,15);1H,(H2,10,12).
What are the key properties of N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide?
N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide has a molecular weight of 493.95 g/mol, XLogP of 3.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide is sourced from PubChem (CID 165098841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).