1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea

C16H19N3O2 — CID 60569732

IUPAC1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESCOc1cc(CNC(=O)NCc2cccnc2)ccc1C
InChIInChI=1S/C16H19N3O2/c1-12-5-6-13(8-15(12)21-2)10-18-16(20)19-11-14-4-3-7-17-9-14/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyLAZQJENDKFFRTH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.40
Rot. Bonds5

About 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea

1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 60569732) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID60569732
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESCOc1cc(CNC(=O)NCc2cccnc2)ccc1C
InChIInChI=1S/C16H19N3O2/c1-12-5-6-13(8-15(12)21-2)10-18-16(20)19-11-14-4-3-7-17-9-14/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyLAZQJENDKFFRTH-UHFFFAOYSA-N
XLogP2.40
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)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

N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 112975469
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
1-(pyridin-3-ylmethyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974281
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60573209
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea (CID 60569732) is 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea is COc1cc(CNC(=O)NCc2cccnc2)ccc1C.
What is the InChIKey of 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is LAZQJENDKFFRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-5-6-13(8-15(12)21-2)10-18-16(20)19-11-14-4-3-7-17-9-14/h3-9H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea?
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 60569732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).