N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide

C11H14N2O — CID 178011059

IUPACN-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide
SMILESC/C=C/CNC(=O)Cc1cccnc1
InChIInChI=1S/C11H14N2O/c1-2-3-7-13-11(14)8-10-5-4-6-12-9-10/h2-6,9H,7-8H2,1H3,(H,13,14)/b3-2+
InChIKeyXSNJXMIIRMNWEG-NSCUHMNNSA-N
MW190.25 g/mol
LogP1.32
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide

N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide (PubChem CID 178011059) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide
PubChem CID178011059
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide
SMILESC/C=C/CNC(=O)Cc1cccnc1
InChIInChI=1S/C11H14N2O/c1-2-3-7-13-11(14)8-10-5-4-6-12-9-10/h2-6,9H,7-8H2,1H3,(H,13,14)/b3-2+
InChIKeyXSNJXMIIRMNWEG-NSCUHMNNSA-N
XLogP1.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-pyridin-3-ylpent-3-en-2-one
CID 103453253
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
CID 131865555
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
CID 66868100
CID 66868100
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide (CID 178011059) is N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide is C/C=C/CNC(=O)Cc1cccnc1.
What is the InChIKey of N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide?
The InChIKey is XSNJXMIIRMNWEG-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-3-7-13-11(14)8-10-5-4-6-12-9-10/h2-6,9H,7-8H2,1H3,(H,13,14)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide?
N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide has a molecular weight of 190.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 178011059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).