N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide

C13H18N2O2 — CID 37488136

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
SMILESCCOc1ncccc1CNC(=O)C=C(C)C
InChIInChI=1S/C13H18N2O2/c1-4-17-13-11(6-5-7-14-13)9-15-12(16)8-10(2)3/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyAMUJOHMGHHLENZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.06
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide

N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide (PubChem CID 37488136) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
PubChem CID37488136
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
SMILESCCOc1ncccc1CNC(=O)C=C(C)C
InChIInChI=1S/C13H18N2O2/c1-4-17-13-11(6-5-7-14-13)9-15-12(16)8-10(2)3/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyAMUJOHMGHHLENZ-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
1-(2-ethoxy-3-pyridinyl)propan-2-one
CID 83875082
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 91944153
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide
CID 126809112
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928
1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 38536765

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide (CID 37488136) is N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide is CCOc1ncccc1CNC(=O)C=C(C)C.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide?
The InChIKey is AMUJOHMGHHLENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-17-13-11(6-5-7-14-13)9-15-12(16)8-10(2)3/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide has a molecular weight of 234.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide is sourced from PubChem (CID 37488136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).