1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea

C15H18N4O — CID 61339473

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(C(C)N)c2)n1
InChIInChI=1S/C15H18N4O/c1-10-5-3-8-14(17-10)19-15(20)18-13-7-4-6-12(9-13)11(2)16/h3-9,11H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyKZJLNNJMRJLQMZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.05
Rot. Bonds3

About 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea

1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 61339473) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID61339473
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(C(C)N)c2)n1
InChIInChI=1S/C15H18N4O/c1-10-5-3-8-14(17-10)19-15(20)18-13-7-4-6-12(9-13)11(2)16/h3-9,11H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyKZJLNNJMRJLQMZ-UHFFFAOYSA-N
XLogP3.05
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-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-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 61340542
1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 61340581
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339471
1-[3-(1-aminoethyl)phenyl]-3-(4-bromo-3-methylphenyl)urea
CID 61340907
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea (CID 61339473) is 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)Nc2cccc(C(C)N)c2)n1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is KZJLNNJMRJLQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-5-3-8-14(17-10)19-15(20)18-13-7-4-6-12(9-13)11(2)16/h3-9,11H,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 270.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 61339473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).