3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea

C21H26N4O2 — CID 176670506

IUPAC3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea
SMILESC[C@@H](c1ccncc1)N(C)C(=O)NC1CCOC1c1cncc(C2CC2)c1
InChIInChI=1S/C21H26N4O2/c1-14(15-5-8-22-9-6-15)25(2)21(26)24-19-7-10-27-20(19)18-11-17(12-23-13-18)16-3-4-16/h5-6,8-9,11-14,16,19-20H,3-4,7,10H2,1-2H3,(H,24,26)/t14-,19?,20?/m0/s1
InChIKeyOEXNOGLURLKTDO-JAGHRAMZSA-N
MW366.47 g/mol
LogP3.59
Rot. Bonds5

About 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea

3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea (PubChem CID 176670506) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea
PubChem CID176670506
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea
SMILESC[C@@H](c1ccncc1)N(C)C(=O)NC1CCOC1c1cncc(C2CC2)c1
InChIInChI=1S/C21H26N4O2/c1-14(15-5-8-22-9-6-15)25(2)21(26)24-19-7-10-27-20(19)18-11-17(12-23-13-18)16-3-4-16/h5-6,8-9,11-14,16,19-20H,3-4,7,10H2,1-2H3,(H,24,26)/t14-,19?,20?/m0/s1
InChIKeyOEXNOGLURLKTDO-JAGHRAMZSA-N
XLogP3.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]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 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea (CID 176670506) is 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea is C[C@@H](c1ccncc1)N(C)C(=O)NC1CCOC1c1cncc(C2CC2)c1.
What is the InChIKey of 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea?
The InChIKey is OEXNOGLURLKTDO-JAGHRAMZSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(15-5-8-22-9-6-15)25(2)21(26)24-19-7-10-27-20(19)18-11-17(12-23-13-18)16-3-4-16/h5-6,8-9,11-14,16,19-20H,3-4,7,10H2,1-2H3,(H,24,26)/t14-,19?,20?/m0/s1.
What are the key properties of 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea?
3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea has a molecular weight of 366.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 176670506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).