N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane

C13H20N2O2 — CID 178011179

IUPACN-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane
SMILESC/C=C/CNC(=O)c1ccc(=O)n(C)c1.CC
InChIInChI=1S/C11H14N2O2.C2H6/c1-3-4-7-12-11(15)9-5-6-10(14)13(2)8-9;1-2/h3-6,8H,7H2,1-2H3,(H,12,15);1-2H3/b4-3+;
InChIKeyGVYVTIPNPWIBSA-BJILWQEISA-N
MW236.31 g/mol
LogP1.72
Rot. Bonds3

About N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane

N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane (PubChem CID 178011179) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane
PubChem CID178011179
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane
SMILESC/C=C/CNC(=O)c1ccc(=O)n(C)c1.CC
InChIInChI=1S/C11H14N2O2.C2H6/c1-3-4-7-12-11(15)9-5-6-10(14)13(2)8-9;1-2/h3-6,8H,7H2,1-2H3,(H,12,15);1-2H3/b4-3+;
InChIKeyGVYVTIPNPWIBSA-BJILWQEISA-N
XLogP1.72
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
CID 178010444
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
N-[(E)-but-2-enyl]-6-methylpyridine-3-carboxamide;ethane
CID 178011431
N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111115756
1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988
N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 77089921
N-[(E)-but-2-enyl]naphthalene-2-carboxamide
CID 59644417
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 126803241
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252
N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 159706557
N-[(E)-but-2-enyl]-3-methylbenzamide
CID 178010009

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane (CID 178011179) is N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane is C/C=C/CNC(=O)c1ccc(=O)n(C)c1.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane?
The InChIKey is GVYVTIPNPWIBSA-BJILWQEISA-N. The full InChI is InChI=1S/C11H14N2O2.C2H6/c1-3-4-7-12-11(15)9-5-6-10(14)13(2)8-9;1-2/h3-6,8H,7H2,1-2H3,(H,12,15);1-2H3/b4-3+;.
What are the key properties of N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane?
N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane has a molecular weight of 236.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 178011179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).