1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea

C15H16ClN3O2 — CID 86986628

IUPAC1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccc(C)cc2Cl)ccn1
InChIInChI=1S/C15H16ClN3O2/c1-10-3-4-13(12(16)7-10)19-15(20)18-9-11-5-6-17-14(8-11)21-2/h3-8H,9H2,1-2H3,(H2,18,19,20)
InChIKeyDMEPOUVOVLQMQG-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.37
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea

1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea (PubChem CID 86986628) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
PubChem CID86986628
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccc(C)cc2Cl)ccn1
InChIInChI=1S/C15H16ClN3O2/c1-10-3-4-13(12(16)7-10)19-15(20)18-9-11-5-6-17-14(8-11)21-2/h3-8H,9H2,1-2H3,(H2,18,19,20)
InChIKeyDMEPOUVOVLQMQG-UHFFFAOYSA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]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-(2-bromo-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 55696398
1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86987150
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87009935
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
3-chloro-4-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 63088979
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea (CID 86986628) is 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea is COc1cc(CNC(=O)Nc2ccc(C)cc2Cl)ccn1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The InChIKey is DMEPOUVOVLQMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10-3-4-13(12(16)7-10)19-15(20)18-9-11-5-6-17-14(8-11)21-2/h3-8H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea has a molecular weight of 305.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 86986628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).