1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol

C25H23ClN4O3 — CID 170159287

IUPAC1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccc(COc2cccnc2)cc1.Oc1cccnc1
InChIInChI=1S/C20H18ClN3O2.C5H5NO/c21-17-7-3-15(4-8-17)12-23-20(25)24-18-9-5-16(6-10-18)14-26-19-2-1-11-22-13-19;7-5-2-1-3-6-4-5/h1-11,13H,12,14H2,(H2,23,24,25);1-4,7H
InChIKeyIVNXBCVYYKBZMU-UHFFFAOYSA-N
MW462.94 g/mol
LogP5.42
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol

1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol (PubChem CID 170159287) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol
PubChem CID170159287
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccc(COc2cccnc2)cc1.Oc1cccnc1
InChIInChI=1S/C20H18ClN3O2.C5H5NO/c21-17-7-3-15(4-8-17)12-23-20(25)24-18-9-5-16(6-10-18)14-26-19-2-1-11-22-13-19;7-5-2-1-3-6-4-5/h1-11,13H,12,14H2,(H2,23,24,25);1-4,7H
InChIKeyIVNXBCVYYKBZMU-UHFFFAOYSA-N
XLogP5.42
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.94
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol 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-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea
CID 108988736
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740
1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
CID 166834962
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[(4-chlorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108899241
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol (CID 170159287) is 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol is O=C(NCc1ccc(Cl)cc1)Nc1ccc(COc2cccnc2)cc1.Oc1cccnc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol?
The InChIKey is IVNXBCVYYKBZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2.C5H5NO/c21-17-7-3-15(4-8-17)12-23-20(25)24-18-9-5-16(6-10-18)14-26-19-2-1-11-22-13-19;7-5-2-1-3-6-4-5/h1-11,13H,12,14H2,(H2,23,24,25);1-4,7H.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol?
1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol has a molecular weight of 462.94 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol is sourced from PubChem (CID 170159287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).