1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea

C12H10Cl2N4O — CID 901024

IUPAC1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
SMILESO=C(NNc1cccc(Cl)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N4O/c13-8-4-6-9(7-5-8)15-12(19)18-17-11-3-1-2-10(14)16-11/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyASHHZAWAPDWPGQ-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.54
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea

1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea (PubChem CID 901024) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
PubChem CID901024
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
SMILESO=C(NNc1cccc(Cl)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N4O/c13-8-4-6-9(7-5-8)15-12(19)18-17-11-3-1-2-10(14)16-11/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyASHHZAWAPDWPGQ-UHFFFAOYSA-N
XLogP3.54
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Chloro-2-pyridinyl)-1-hydrazinecarboxamide
CID 324447
1-(4-Chlorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 836687
2-(6-chloro-2-pyridinyl)-N-(2-fluorophenyl)hydrazinecarboxamide
CID 901021
2-(6-chloro-2-pyridinyl)-N-(4-fluorophenyl)hydrazinecarboxamide
CID 901022
2-(6-chloro-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]hydrazinecarboxamide
CID 901027
1-(4-Chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea
CID 1471795
2-chloro-N'-(6-chloropyridin-2-yl)propanehydrazide
CID 3632034
N-(3-chlorophenyl)-2-(6-chloro-2-pyridinyl)hydrazinecarboxamide
CID 4193262
N'-(6-chloropyridin-2-yl)acetohydrazide
CID 324432
N1-(4-chlorophenyl)-2-(6-methylpyridazin-3-yl)hydrazine-1-carboxamide
CID 6409881
2-chloro-N'-(6-chloropyridin-2-yl)acetohydrazide
CID 324450
2-(6-chloro-2-pyridinyl)-N-phenylhydrazinecarboxamide
CID 901020

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea (CID 901024) is 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea is O=C(NNc1cccc(Cl)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea?
The InChIKey is ASHHZAWAPDWPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c13-8-4-6-9(7-5-8)15-12(19)18-17-11-3-1-2-10(14)16-11/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea?
1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea has a molecular weight of 297.15 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea is sourced from PubChem (CID 901024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).