1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

C22H25N5O4 — CID 71603585

IUPAC1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cncc(C)c2)c(-c2ccc(OCC(C)(C)O)nc2)cn1
InChIInChI=1S/C22H25N5O4/c1-14-7-16(11-24-9-14)31-18-8-19(27-21(28)23-4)25-12-17(18)15-5-6-20(26-10-15)30-13-22(2,3)29/h5-12,29H,13H2,1-4H3,(H2,23,25,27,28)
InChIKeyQUISANLDBDCMPD-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.54
Rot. Bonds7

About 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (PubChem CID 71603585) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
PubChem CID71603585
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cncc(C)c2)c(-c2ccc(OCC(C)(C)O)nc2)cn1
InChIInChI=1S/C22H25N5O4/c1-14-7-16(11-24-9-14)31-18-8-19(27-21(28)23-4)25-12-17(18)15-5-6-20(26-10-15)30-13-22(2,3)29/h5-12,29H,13H2,1-4H3,(H2,23,25,27,28)
InChIKeyQUISANLDBDCMPD-UHFFFAOYSA-N
XLogP3.54
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea 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-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (CID 71603585) is 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2cncc(C)c2)c(-c2ccc(OCC(C)(C)O)nc2)cn1.
What is the InChIKey of 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The InChIKey is QUISANLDBDCMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-7-16(11-24-9-14)31-18-8-19(27-21(28)23-4)25-12-17(18)15-5-6-20(26-10-15)30-13-22(2,3)29/h5-12,29H,13H2,1-4H3,(H2,23,25,27,28).
What are the key properties of 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea has a molecular weight of 423.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 71603585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).