1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea

C13H19N3O2 — CID 71855348

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea
SMILESCC(CO)(NC(=O)NCc1ccncc1)C1CC1
InChIInChI=1S/C13H19N3O2/c1-13(9-17,11-2-3-11)16-12(18)15-8-10-4-6-14-7-5-10/h4-7,11,17H,2-3,8-9H2,1H3,(H2,15,16,18)
InChIKeySXRSKTPEFANAEG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.04
Rot. Bonds5

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 71855348) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea
PubChem CID71855348
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea
SMILESCC(CO)(NC(=O)NCc1ccncc1)C1CC1
InChIInChI=1S/C13H19N3O2/c1-13(9-17,11-2-3-11)16-12(18)15-8-10-4-6-14-7-5-10/h4-7,11,17H,2-3,8-9H2,1H3,(H2,15,16,18)
InChIKeySXRSKTPEFANAEG-UHFFFAOYSA-N
XLogP1.04
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)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-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea (CID 71855348) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea is CC(CO)(NC(=O)NCc1ccncc1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is SXRSKTPEFANAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(9-17,11-2-3-11)16-12(18)15-8-10-4-6-14-7-5-10/h4-7,11,17H,2-3,8-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 71855348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).