1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea

C15H24N4O3 — CID 95156925

IUPAC1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCC[C@](C)(O)CNC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H24N4O3/c1-3-15(2,21)11-17-14(20)18-12-4-5-13(16-10-12)19-6-8-22-9-7-19/h4-5,10,21H,3,6-9,11H2,1-2H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyJXZMLYLWBOMNOI-HNNXBMFYSA-N
MW308.38 g/mol
LogP1.20
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 95156925) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID95156925
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCC[C@](C)(O)CNC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H24N4O3/c1-3-15(2,21)11-17-14(20)18-12-4-5-13(16-10-12)19-6-8-22-9-7-19/h4-5,10,21H,3,6-9,11H2,1-2H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyJXZMLYLWBOMNOI-HNNXBMFYSA-N
XLogP1.20
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95772331
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94815212
1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 94146430
1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 51078466
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 95156925) is 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea is CC[C@](C)(O)CNC(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is JXZMLYLWBOMNOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-15(2,21)11-17-14(20)18-12-4-5-13(16-10-12)19-6-8-22-9-7-19/h4-5,10,21H,3,6-9,11H2,1-2H3,(H2,17,18,20)/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 308.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 95156925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).