N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide

C12H16N2O2 — CID 170477165

IUPACN-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(C=CCCO)c(C)n1
InChIInChI=1S/C12H16N2O2/c1-9-11(5-3-4-8-15)6-7-12(13-9)14-10(2)16/h3,5-7,15H,4,8H2,1-2H3,(H,13,14,16)
InChIKeyMAOIIOPPSIXWFA-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.74
Rot. Bonds4

About N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide

N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide (PubChem CID 170477165) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide
PubChem CID170477165
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(C=CCCO)c(C)n1
InChIInChI=1S/C12H16N2O2/c1-9-11(5-3-4-8-15)6-7-12(13-9)14-10(2)16/h3,5-7,15H,4,8H2,1-2H3,(H,13,14,16)
InChIKeyMAOIIOPPSIXWFA-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-aminoprop-1-enyl)-6-methyl-2-pyridinyl]acetamide
CID 169464106
methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate
CID 169479439
N-[6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]acetamide
CID 74788292
N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide
CID 170818483
methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate
CID 135084302
S-[4-(6-amino-2-methyl-3-pyridinyl)but-3-enyl] ethanethioate
CID 170479745
1-[3-chloro-4-(4-hydroxybut-1-enyl)phenyl]ethanone
CID 170476846
4-(2-chloro-4-methylphenyl)but-3-en-1-ol
CID 170476087
4-(2-bromo-4-methylphenyl)but-3-en-1-ol
CID 170477579
6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one
CID 170477339
4-(6-acetamido-2-methyl-3-pyridinyl)but-3-ynamide
CID 170473668
N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide
CID 171858585

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide (CID 170477165) is N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide is CC(=O)Nc1ccc(C=CCCO)c(C)n1.
What is the InChIKey of N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide?
The InChIKey is MAOIIOPPSIXWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-11(5-3-4-8-15)6-7-12(13-9)14-10(2)16/h3,5-7,15H,4,8H2,1-2H3,(H,13,14,16).
What are the key properties of N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide?
N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 170477165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).