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

C12H16N2O — CID 170488142

IUPACN-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccnc(C)c1
InChIInChI=1S/C12H16N2O/c1-10-9-12(6-8-13-10)5-3-4-7-14-11(2)15/h3,5-6,8-9H,4,7H2,1-2H3,(H,14,15)
InChIKeyYLWVEAPHGHRHPE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.93
Rot. Bonds4

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

N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide (PubChem CID 170488142) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
PubChem CID170488142
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccnc(C)c1
InChIInChI=1S/C12H16N2O/c1-10-9-12(6-8-13-10)5-3-4-7-14-11(2)15/h3,5-6,8-9H,4,7H2,1-2H3,(H,14,15)
InChIKeyYLWVEAPHGHRHPE-UHFFFAOYSA-N
XLogP1.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170489742
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide
CID 170488101
N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
CID 170488425
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489158
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
(Z)-4-(2-methyl-4-pyridinyl)but-3-en-2-one
CID 118346777

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide (CID 170488142) is N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccnc(C)c1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide?
The InChIKey is YLWVEAPHGHRHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-9-12(6-8-13-10)5-3-4-7-14-11(2)15/h3,5-6,8-9H,4,7H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide?
N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).