1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C15H25N3O3 — CID 111474032

IUPAC1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C15H25N3O3/c1-3-5-12(8-9-19)10-16-15(21)17-13-6-7-14(20)18(4-2)11-13/h6-7,11-12,19H,3-5,8-10H2,1-2H3,(H2,16,17,21)
InChIKeyAOOVJDBIPKYKPJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.79
Rot. Bonds8

About 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 111474032) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID111474032
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C15H25N3O3/c1-3-5-12(8-9-19)10-16-15(21)17-13-6-7-14(20)18(4-2)11-13/h6-7,11-12,19H,3-5,8-10H2,1-2H3,(H2,16,17,21)
InChIKeyAOOVJDBIPKYKPJ-UHFFFAOYSA-N
XLogP1.79
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 110909824
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate
CID 95973767
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474640
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
CID 61172675

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 111474032) is 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1ccc(=O)n(CC)c1.
What is the InChIKey of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is AOOVJDBIPKYKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-5-12(8-9-19)10-16-15(21)17-13-6-7-14(20)18(4-2)11-13/h6-7,11-12,19H,3-5,8-10H2,1-2H3,(H2,16,17,21).
What are the key properties of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 295.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 111474032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).