1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea

C14H23N3O3 — CID 111119424

IUPAC1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C14H23N3O3/c1-5-10(2)14(3,20)9-15-13(19)16-11-6-7-12(18)17(4)8-11/h6-8,10,20H,5,9H2,1-4H3,(H2,15,16,19)
InChIKeyILDBMKAENZCSMA-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.30
Rot. Bonds5

About 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea

1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea (PubChem CID 111119424) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea
PubChem CID111119424
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C14H23N3O3/c1-5-10(2)14(3,20)9-15-13(19)16-11-6-7-12(18)17(4)8-11/h6-8,10,20H,5,9H2,1-4H3,(H2,15,16,19)
InChIKeyILDBMKAENZCSMA-UHFFFAOYSA-N
XLogP1.30
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-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-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
CID 111119402
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 79024286
1-(2-hydroxy-2,3-dimethylpentyl)-3-pentan-3-ylurea
CID 111120801
1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120346
1-methyl-5-(2-methylbutylamino)pyridin-2-one
CID 60931970
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 61178866
2-hydroxy-N-(1-methyl-6-oxo-3-pyridinyl)-2,2-diphenylacetamide
CID 110901708
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120613
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride
CID 119723799
N-(1-methyl-6-oxo-3-pyridinyl)-2-propan-2-yloxyacetamide
CID 112686884
4-[[(2-hydroxy-2,3-dimethylpentyl)carbamoylamino]methyl]benzoic acid
CID 122021168

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea (CID 111119424) is 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea is CCC(C)C(C)(O)CNC(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The InChIKey is ILDBMKAENZCSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-10(2)14(3,20)9-15-13(19)16-11-6-7-12(18)17(4)8-11/h6-8,10,20H,5,9H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea?
1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea has a molecular weight of 281.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea is sourced from PubChem (CID 111119424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).