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

C20H21N5O4 — CID 155514513

IUPAC1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cccnc2C)c(-c2ccc(OCCO)nc2)cn1
InChIInChI=1S/C20H21N5O4/c1-13-16(4-3-7-22-13)29-17-10-18(25-20(27)21-2)23-12-15(17)14-5-6-19(24-11-14)28-9-8-26/h3-7,10-12,26H,8-9H2,1-2H3,(H2,21,23,25,27)
InChIKeyLDKLCKNGZBNRNG-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.76
Rot. Bonds7

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

1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (PubChem CID 155514513) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
PubChem CID155514513
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cccnc2C)c(-c2ccc(OCCO)nc2)cn1
InChIInChI=1S/C20H21N5O4/c1-13-16(4-3-7-22-13)29-17-10-18(25-20(27)21-2)23-12-15(17)14-5-6-19(24-11-14)28-9-8-26/h3-7,10-12,26H,8-9H2,1-2H3,(H2,21,23,25,27)
InChIKeyLDKLCKNGZBNRNG-UHFFFAOYSA-N
XLogP2.76
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-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-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (CID 155514513) is 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2cccnc2C)c(-c2ccc(OCCO)nc2)cn1.
What is the InChIKey of 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The InChIKey is LDKLCKNGZBNRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-13-16(4-3-7-22-13)29-17-10-18(25-20(27)21-2)23-12-15(17)14-5-6-19(24-11-14)28-9-8-26/h3-7,10-12,26H,8-9H2,1-2H3,(H2,21,23,25,27).
What are the key properties of 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea has a molecular weight of 395.42 g/mol, XLogP of 2.76, 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-hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155514513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).