1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea

C14H23N3O3 — CID 47434526

IUPAC1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C14H23N3O3/c1-3-5-8-17(9-10-18)14(20)15-12-6-7-13(19)16(4-2)11-12/h6-7,11,18H,3-5,8-10H2,1-2H3,(H,15,20)
InChIKeyOZCGXVIUUSMTDZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.49
Rot. Bonds7

About 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea

1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea (PubChem CID 47434526) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea
PubChem CID47434526
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C14H23N3O3/c1-3-5-8-17(9-10-18)14(20)15-12-6-7-13(19)16(4-2)11-12/h6-7,11,18H,3-5,8-10H2,1-2H3,(H,15,20)
InChIKeyOZCGXVIUUSMTDZ-UHFFFAOYSA-N
XLogP1.49
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
CID 47200418
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
3-(3,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120524
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)hexanamide
CID 54862552
2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61447696
1-butyl-3-(3-fluoro-4-methylsulfanylphenyl)-1-(2-hydroxyethyl)urea
CID 111475389
1-benzyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 48739052
1-butyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1-(2-hydroxyethyl)urea
CID 110896952
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910
1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 111475205

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea (CID 47434526) is 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea is CCCCN(CCO)C(=O)Nc1ccc(=O)n(CC)c1.
What is the InChIKey of 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea?
The InChIKey is OZCGXVIUUSMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-5-8-17(9-10-18)14(20)15-12-6-7-13(19)16(4-2)11-12/h6-7,11,18H,3-5,8-10H2,1-2H3,(H,15,20).
What are the key properties of 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea?
1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea has a molecular weight of 281.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 47434526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).