3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea

C12H19N3O2 — CID 14006930

IUPAC3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ncccc1O
InChIInChI=1S/C12H19N3O2/c1-3-8-15(9-4-2)12(17)14-11-10(16)6-5-7-13-11/h5-7,16H,3-4,8-9H2,1-2H3,(H,13,14,17)
InChIKeyLOBRHMFKVHUIGT-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.44
Rot. Bonds5

About 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea

3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea (PubChem CID 14006930) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea
PubChem CID14006930
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ncccc1O
InChIInChI=1S/C12H19N3O2/c1-3-8-15(9-4-2)12(17)14-11-10(16)6-5-7-13-11/h5-7,16H,3-4,8-9H2,1-2H3,(H,13,14,17)
InChIKeyLOBRHMFKVHUIGT-UHFFFAOYSA-N
XLogP2.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)pentanamide
CID 107570512
(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide
CID 95276418
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635
1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide
CID 46428887
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
3-(2,6-difluorophenyl)-1,1-dipropylurea
CID 108991003
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 103630280
2-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109298
N-(3-hydroxy-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 135950880
N',N'-dipropyl-N-pyridin-2-yloxamide
CID 108525916
2-(cyclopropylamino)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 115976290

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea?
The IUPAC name of 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea (CID 14006930) is 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea.
What is the SMILES notation for 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea?
The canonical SMILES for 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1ncccc1O.
What is the InChIKey of 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea?
The InChIKey is LOBRHMFKVHUIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-8-15(9-4-2)12(17)14-11-10(16)6-5-7-13-11/h5-7,16H,3-4,8-9H2,1-2H3,(H,13,14,17).
What are the key properties of 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea?
3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea has a molecular weight of 237.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea is sourced from PubChem (CID 14006930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).