1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea

C30H32N4O2 — CID 22217789

IUPAC1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1C
InChIInChI=1S/C30H32N4O2/c1-20-16-22(3)29(17-21(20)2)33-30(35)32-28-11-10-25(26-6-4-5-7-27(26)28)23-8-9-24(31-18-23)19-34-12-14-36-15-13-34/h4-11,16-18H,12-15,19H2,1-3H3,(H2,32,33,35)
InChIKeyYYVVBVYHDUPJNZ-UHFFFAOYSA-N
MW480.61 g/mol
LogP6.30
Rot. Bonds5

About 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea

1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea (PubChem CID 22217789) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea
PubChem CID22217789
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1C
InChIInChI=1S/C30H32N4O2/c1-20-16-22(3)29(17-21(20)2)33-30(35)32-28-11-10-25(26-6-4-5-7-27(26)28)23-8-9-24(31-18-23)19-34-12-14-36-15-13-34/h4-11,16-18H,12-15,19H2,1-3H3,(H2,32,33,35)
InChIKeyYYVVBVYHDUPJNZ-UHFFFAOYSA-N
XLogP6.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)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 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea?
The IUPAC name of 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea (CID 22217789) is 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea.
What is the SMILES notation for 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea?
The canonical SMILES for 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1C.
What is the InChIKey of 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea?
The InChIKey is YYVVBVYHDUPJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-20-16-22(3)29(17-21(20)2)33-30(35)32-28-11-10-25(26-6-4-5-7-27(26)28)23-8-9-24(31-18-23)19-34-12-14-36-15-13-34/h4-11,16-18H,12-15,19H2,1-3H3,(H2,32,33,35).
What are the key properties of 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea?
1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea has a molecular weight of 480.61 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea is sourced from PubChem (CID 22217789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).