N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide

C12H16N2O2 — CID 170488435

IUPACN-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1nc(C)ccc1O
InChIInChI=1S/C12H16N2O2/c1-9-6-7-12(16)11(14-9)5-3-4-8-13-10(2)15/h3,5-7,16H,4,8H2,1-2H3,(H,13,15)
InChIKeyAAVNGWRZBQNYQX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.64
Rot. Bonds4

About N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide

N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide (PubChem CID 170488435) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide
PubChem CID170488435
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1nc(C)ccc1O
InChIInChI=1S/C12H16N2O2/c1-9-6-7-12(16)11(14-9)5-3-4-8-13-10(2)15/h3,5-7,16H,4,8H2,1-2H3,(H,13,15)
InChIKeyAAVNGWRZBQNYQX-UHFFFAOYSA-N
XLogP1.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide
CID 170488101
N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
CID 170488274
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170488142
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide
CID 170489391
4-(4-acetamidobut-1-enyl)-1,3-thiazole-2-carboxylic acid
CID 170488410
N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide
CID 170488447
N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide
CID 170489699
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide (CID 170488435) is N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1nc(C)ccc1O.
What is the InChIKey of N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide?
The InChIKey is AAVNGWRZBQNYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-6-7-12(16)11(14-9)5-3-4-8-13-10(2)15/h3,5-7,16H,4,8H2,1-2H3,(H,13,15).
What are the key properties of N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide?
N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).