1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea

C12H19N3O3 — CID 90625121

IUPAC1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)14-12(18)13-7-10(16)8-15-6-4-3-5-11(15)17/h3-6,9-10,16H,7-8H2,1-2H3,(H2,13,14,18)
InChIKeyJZAKEPHCALHXOT-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.08
Rot. Bonds5

About 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea

1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea (PubChem CID 90625121) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
PubChem CID90625121
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)14-12(18)13-7-10(16)8-15-6-4-3-5-11(15)17/h3-6,9-10,16H,7-8H2,1-2H3,(H2,13,14,18)
InChIKeyJZAKEPHCALHXOT-UHFFFAOYSA-N
XLogP-0.08
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
CID 90624837
1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
CID 115475518
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-phenylacetamide
CID 99903624
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea
CID 90625123
2-cyclopentyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 97428898
4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 90624845
2-cyclohexyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624833
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99876911
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-pyrazol-1-ylacetamide
CID 90624986
ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate
CID 90624842
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 72719918

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea (CID 90625121) is 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC(O)Cn1ccccc1=O.
What is the InChIKey of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea?
The InChIKey is JZAKEPHCALHXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)14-12(18)13-7-10(16)8-15-6-4-3-5-11(15)17/h3-6,9-10,16H,7-8H2,1-2H3,(H2,13,14,18).
What are the key properties of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea?
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea has a molecular weight of 253.30 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea is sourced from PubChem (CID 90625121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).