3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea

C18H23ClN4O — CID 4602053

IUPAC3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea
SMILESCC(c1cccnc1)N(CCN(C)C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c1-14(15-5-4-10-20-13-15)23(12-11-22(2)3)18(24)21-17-8-6-16(19)7-9-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyNVUHXKIXFSKTLH-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.89
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea

3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea (PubChem CID 4602053) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea
PubChem CID4602053
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea
SMILESCC(c1cccnc1)N(CCN(C)C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c1-14(15-5-4-10-20-13-15)23(12-11-22(2)3)18(24)21-17-8-6-16(19)7-9-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyNVUHXKIXFSKTLH-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea (CID 4602053) is 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea is CC(c1cccnc1)N(CCN(C)C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea?
The InChIKey is NVUHXKIXFSKTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-14(15-5-4-10-20-13-15)23(12-11-22(2)3)18(24)21-17-8-6-16(19)7-9-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea?
3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea has a molecular weight of 346.86 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-(1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 4602053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).