(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide

C12H16N2O3 — CID 90624837

IUPAC(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
SMILESC/C=C/C(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C12H16N2O3/c1-2-5-11(16)13-8-10(15)9-14-7-4-3-6-12(14)17/h2-7,10,15H,8-9H2,1H3,(H,13,16)/b5-2+
InChIKeyGARUKXJYMRKSIW-GORDUTHDSA-N
MW236.27 g/mol
LogP-0.10
Rot. Bonds5

About (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide

(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide (PubChem CID 90624837) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
PubChem CID90624837
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
SMILESC/C=C/C(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C12H16N2O3/c1-2-5-11(16)13-8-10(15)9-14-7-4-3-6-12(14)17/h2-7,10,15H,8-9H2,1H3,(H,13,16)/b5-2+
InChIKeyGARUKXJYMRKSIW-GORDUTHDSA-N
XLogP-0.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide with MolForge

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Related Compounds

(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide
CID 97428878
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
CID 90625121
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 90624946
2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-phenylacetamide
CID 99903624
4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 90624845
1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
CID 115475518
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea
CID 90625123
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
2-cyclopentyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 97428898
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 (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide?
The IUPAC name of (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide (CID 90624837) is (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide is C/C=C/C(=O)NCC(O)Cn1ccccc1=O.
What is the InChIKey of (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide?
The InChIKey is GARUKXJYMRKSIW-GORDUTHDSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-5-11(16)13-8-10(15)9-14-7-4-3-6-12(14)17/h2-7,10,15H,8-9H2,1H3,(H,13,16)/b5-2+.
What are the key properties of (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide?
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide has a molecular weight of 236.27 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide is sourced from PubChem (CID 90624837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).