1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea

C14H23N3O3 — CID 111338596

IUPAC1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
SMILESCC(O)CCNC(=O)NCCCCn1ccccc1=O
InChIInChI=1S/C14H23N3O3/c1-12(18)7-9-16-14(20)15-8-3-5-11-17-10-4-2-6-13(17)19/h2,4,6,10,12,18H,3,5,7-9,11H2,1H3,(H2,15,16,20)
InChIKeyLALYATFUCRCRGJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.70
Rot. Bonds8

About 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea

1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea (PubChem CID 111338596) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
PubChem CID111338596
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
SMILESCC(O)CCNC(=O)NCCCCn1ccccc1=O
InChIInChI=1S/C14H23N3O3/c1-12(18)7-9-16-14(20)15-8-3-5-11-17-10-4-2-6-13(17)19/h2,4,6,10,12,18H,3,5,7-9,11H2,1H3,(H2,15,16,20)
InChIKeyLALYATFUCRCRGJ-UHFFFAOYSA-N
XLogP0.70
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126471
1-butan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 110943652
1,2-dimethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 75526639
1-(3-methylbutyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083503
1-heptan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111195161
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111426906
1-[4-(butan-2-ylamino)butyl]pyridin-2-one
CID 115714513
2-(4-fluorophenyl)-2-hydroxy-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 77080089
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
CID 71851504
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111400893
2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 104681861
N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111460901

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea (CID 111338596) is 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea is CC(O)CCNC(=O)NCCCCn1ccccc1=O.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea?
The InChIKey is LALYATFUCRCRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-12(18)7-9-16-14(20)15-8-3-5-11-17-10-4-2-6-13(17)19/h2,4,6,10,12,18H,3,5,7-9,11H2,1H3,(H2,15,16,20).
What are the key properties of 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea?
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea has a molecular weight of 281.36 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea is sourced from PubChem (CID 111338596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).