[4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea

C23H26N4O3 — CID 23137271

IUPAC[4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea
SMILESCOCC1CN(Cc2ccc(-c3ccc(NC(N)=O)c4ccccc34)cn2)CCO1
InChIInChI=1S/C23H26N4O3/c1-29-15-18-14-27(10-11-30-18)13-17-7-6-16(12-25-17)19-8-9-22(26-23(24)28)21-5-3-2-4-20(19)21/h2-9,12,18H,10-11,13-15H2,1H3,(H3,24,26,28)
InChIKeyJTVNIKGGVANRME-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.24
Rot. Bonds6

About [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea

[4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 23137271) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea.

Molecular Properties

Compound Name[4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea
PubChem CID23137271
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name[4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea
SMILESCOCC1CN(Cc2ccc(-c3ccc(NC(N)=O)c4ccccc34)cn2)CCO1
InChIInChI=1S/C23H26N4O3/c1-29-15-18-14-27(10-11-30-18)13-17-7-6-16(12-25-17)19-8-9-22(26-23(24)28)21-5-3-2-4-20(19)21/h2-9,12,18H,10-11,13-15H2,1H3,(H3,24,26,28)
InChIKeyJTVNIKGGVANRME-UHFFFAOYSA-N
XLogP3.24
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]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 [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea?
The IUPAC name of [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea (CID 23137271) is [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea.
What is the SMILES notation for [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea?
The canonical SMILES for [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea is COCC1CN(Cc2ccc(-c3ccc(NC(N)=O)c4ccccc34)cn2)CCO1.
What is the InChIKey of [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea?
The InChIKey is JTVNIKGGVANRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-15-18-14-27(10-11-30-18)13-17-7-6-16(12-25-17)19-8-9-22(26-23(24)28)21-5-3-2-4-20(19)21/h2-9,12,18H,10-11,13-15H2,1H3,(H3,24,26,28).
What are the key properties of [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea?
[4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 406.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[[2-(methoxymethyl)morpholin-4-yl]methyl]-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 23137271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).