1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea

C13H12ClN3O — CID 110755160

IUPAC1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C13H12ClN3O/c1-9-8-12(6-7-15-9)17-13(18)16-11-4-2-10(14)3-5-11/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyUOXBCMJXCFYNBV-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.69
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea

1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea (PubChem CID 110755160) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
PubChem CID110755160
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C13H12ClN3O/c1-9-8-12(6-7-15-9)17-13(18)16-11-4-2-10(14)3-5-11/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyUOXBCMJXCFYNBV-UHFFFAOYSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860
1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 86818366
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
5-(4-chlorophenyl)-N-(2-methyl-4-pyridinyl)furan-2-carboxamide
CID 24776776
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
CID 108866515
1-(4-chlorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316239
3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
CID 122088409
2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea (CID 110755160) is 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea is Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea?
The InChIKey is UOXBCMJXCFYNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-8-12(6-7-15-9)17-13(18)16-11-4-2-10(14)3-5-11/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea?
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea has a molecular weight of 261.71 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea is sourced from PubChem (CID 110755160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).