1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea

C13H12ClN3O2 — CID 171678678

IUPAC1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)[nH]c(=O)c2)cc1
InChIInChI=1S/C13H12ClN3O2/c1-8-2-4-9(5-3-8)15-13(19)16-10-6-11(14)17-12(18)7-10/h2-7H,1H3,(H3,15,16,17,18,19)
InChIKeyWCWBUWCXILKZTH-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.98
Rot. Bonds2

About 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea

1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea (PubChem CID 171678678) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea
PubChem CID171678678
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)[nH]c(=O)c2)cc1
InChIInChI=1S/C13H12ClN3O2/c1-8-2-4-9(5-3-8)15-13(19)16-10-6-11(14)17-12(18)7-10/h2-7H,1H3,(H3,15,16,17,18,19)
InChIKeyWCWBUWCXILKZTH-UHFFFAOYSA-N
XLogP2.98
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
CID 61394391
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea
CID 144925819
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
trimethyl-[(4-methylphenyl)carbamoylamino]azanium
CID 134109961
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea
CID 122507242

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea (CID 171678678) is 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(Cl)[nH]c(=O)c2)cc1.
What is the InChIKey of 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea?
The InChIKey is WCWBUWCXILKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-2-4-9(5-3-8)15-13(19)16-10-6-11(14)17-12(18)7-10/h2-7H,1H3,(H3,15,16,17,18,19).
What are the key properties of 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea?
1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea has a molecular weight of 277.71 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 171678678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).