1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea

C14H23N3O3 — CID 110909824

IUPAC1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCCn1cc(NC(=O)NCC(O)CC(C)C)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-17-9-11(5-6-13(17)19)16-14(20)15-8-12(18)7-10(2)3/h5-6,9-10,12,18H,4,7-8H2,1-3H3,(H2,15,16,20)
InChIKeyFHZYLEZCIWTEAZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.40
Rot. Bonds6

About 1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea

1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 110909824) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID110909824
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCCn1cc(NC(=O)NCC(O)CC(C)C)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-17-9-11(5-6-13(17)19)16-14(20)15-8-12(18)7-10(2)3/h5-6,9-10,12,18H,4,7-8H2,1-3H3,(H2,15,16,20)
InChIKeyFHZYLEZCIWTEAZ-UHFFFAOYSA-N
XLogP1.40
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate
CID 95973767
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474032
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
CID 54863810
1-(2-hydroxy-4-methylpentyl)-3-(4-methylsulfinylphenyl)urea
CID 111617527
1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431114
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
1-(2-hydroxy-4-methylpentyl)-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111453417
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 56818346
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
(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-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea (CID 110909824) is 1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea is CCn1cc(NC(=O)NCC(O)CC(C)C)ccc1=O.
What is the InChIKey of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is FHZYLEZCIWTEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-17-9-11(5-6-13(17)19)16-14(20)15-8-12(18)7-10(2)3/h5-6,9-10,12,18H,4,7-8H2,1-3H3,(H2,15,16,20).
What are the key properties of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea?
1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 281.36 g/mol, XLogP of 1.40, 6 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-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 110909824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).