1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea

C16H20N4O — CID 61340343

IUPAC1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCNC(C)c1cccc(NC(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H20N4O/c1-12(17-2)14-6-3-7-15(9-14)20-16(21)19-11-13-5-4-8-18-10-13/h3-10,12,17H,11H2,1-2H3,(H2,19,20,21)
InChIKeyCWZJRDDBQSSMBO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.68
Rot. Bonds5

About 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea

1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 61340343) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID61340343
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCNC(C)c1cccc(NC(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H20N4O/c1-12(17-2)14-6-3-7-15(9-14)20-16(21)19-11-13-5-4-8-18-10-13/h3-10,12,17H,11H2,1-2H3,(H2,19,20,21)
InChIKeyCWZJRDDBQSSMBO-UHFFFAOYSA-N
XLogP2.68
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-[1-(methylamino)ethyl]phenyl]-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

1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295845
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62103619
1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 107595364
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[3-[1-(methylamino)ethyl]phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64523966
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 106383259

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea (CID 61340343) is 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea is CNC(C)c1cccc(NC(=O)NCc2cccnc2)c1.
What is the InChIKey of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is CWZJRDDBQSSMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(17-2)14-6-3-7-15(9-14)20-16(21)19-11-13-5-4-8-18-10-13/h3-10,12,17H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 284.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 61340343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).