3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea

C29H36N4O2 — CID 58938054

IUPAC3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCc1cc(C)nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C29H36N4O2/c1-23-21-24(2)30-28(22-23)31-29(34)33(16-15-32-17-19-35-20-18-32)14-13-27(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,21-22,27H,13-20H2,1-2H3,(H,30,31,34)
InChIKeySSTREIOZVCJNEN-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.09
Rot. Bonds9

About 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea

3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 58938054) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID58938054
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCc1cc(C)nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C29H36N4O2/c1-23-21-24(2)30-28(22-23)31-29(34)33(16-15-32-17-19-35-20-18-32)14-13-27(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,21-22,27H,13-20H2,1-2H3,(H,30,31,34)
InChIKeySSTREIOZVCJNEN-UHFFFAOYSA-N
XLogP5.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-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-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea (CID 58938054) is 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea is Cc1cc(C)nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is SSTREIOZVCJNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-23-21-24(2)30-28(22-23)31-29(34)33(16-15-32-17-19-35-20-18-32)14-13-27(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,21-22,27H,13-20H2,1-2H3,(H,30,31,34).
What are the key properties of 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 472.63 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 58938054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).