1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea

C12H19N3O2 — CID 95629506

IUPAC1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
SMILESCC(C)C[C@@H](CO)NC(=O)Nc1ccncc1
InChIInChI=1S/C12H19N3O2/c1-9(2)7-11(8-16)15-12(17)14-10-3-5-13-6-4-10/h3-6,9,11,16H,7-8H2,1-2H3,(H2,13,14,15,17)/t11-/m0/s1
InChIKeyYJEBPJRDJNOJOS-NSHDSACASA-N
MW237.30 g/mol
LogP1.61
Rot. Bonds5

About 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea

1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea (PubChem CID 95629506) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
PubChem CID95629506
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
SMILESCC(C)C[C@@H](CO)NC(=O)Nc1ccncc1
InChIInChI=1S/C12H19N3O2/c1-9(2)7-11(8-16)15-12(17)14-10-3-5-13-6-4-10/h3-6,9,11,16H,7-8H2,1-2H3,(H2,13,14,15,17)/t11-/m0/s1
InChIKeyYJEBPJRDJNOJOS-NSHDSACASA-N
XLogP1.61
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea 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-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876
1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424877
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 111113023
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
CID 111113064
1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399207
1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 86967249
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95629512
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 111424928
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94822181

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea (CID 95629506) is 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea is CC(C)C[C@@H](CO)NC(=O)Nc1ccncc1.
What is the InChIKey of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea?
The InChIKey is YJEBPJRDJNOJOS-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)7-11(8-16)15-12(17)14-10-3-5-13-6-4-10/h3-6,9,11,16H,7-8H2,1-2H3,(H2,13,14,15,17)/t11-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea?
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea has a molecular weight of 237.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea is sourced from PubChem (CID 95629506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).