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

C15H18N4O3 — CID 71603583

IUPAC1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cncc(C)c2)c(CCO)cn1
InChIInChI=1S/C15H18N4O3/c1-10-5-12(9-17-7-10)22-13-6-14(19-15(21)16-2)18-8-11(13)3-4-20/h5-9,20H,3-4H2,1-2H3,(H2,16,18,19,21)
InChIKeyHQFPTASIEPQWFA-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.86
Rot. Bonds5

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

1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (PubChem CID 71603583) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
PubChem CID71603583
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cncc(C)c2)c(CCO)cn1
InChIInChI=1S/C15H18N4O3/c1-10-5-12(9-17-7-10)22-13-6-14(19-15(21)16-2)18-8-11(13)3-4-20/h5-9,20H,3-4H2,1-2H3,(H2,16,18,19,21)
InChIKeyHQFPTASIEPQWFA-UHFFFAOYSA-N
XLogP1.86
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (CID 71603583) is 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2cncc(C)c2)c(CCO)cn1.
What is the InChIKey of 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The InChIKey is HQFPTASIEPQWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-5-12(9-17-7-10)22-13-6-14(19-15(21)16-2)18-8-11(13)3-4-20/h5-9,20H,3-4H2,1-2H3,(H2,16,18,19,21).
What are the key properties of 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea has a molecular weight of 302.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 71603583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).