N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide

C13H18N2O3 — CID 113222064

IUPACN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide
SMILESCOCCn1cc(NC(=O)C=C(C)C)ccc1=O
InChIInChI=1S/C13H18N2O3/c1-10(2)8-12(16)14-11-4-5-13(17)15(9-11)6-7-18-3/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)
InChIKeyFLFBFLPSAZUEMF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.40
Rot. Bonds5

About N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide

N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide (PubChem CID 113222064) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide
PubChem CID113222064
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide
SMILESCOCCn1cc(NC(=O)C=C(C)C)ccc1=O
InChIInChI=1S/C13H18N2O3/c1-10(2)8-12(16)14-11-4-5-13(17)15(9-11)6-7-18-3/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)
InChIKeyFLFBFLPSAZUEMF-UHFFFAOYSA-N
XLogP1.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 63307515
5-hydroxy-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pentanamide
CID 79199757
2-(2-methoxyethylamino)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 79281498
2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 107903976
trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 38781722
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680566
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methyl-3-(methylamino)propanamide
CID 79196697
2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 43713286
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
CID 38675455
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-3-carboxamide
CID 71968599
2,2,3,3-tetrafluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 103776757
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]imidazole-1-carboxamide
CID 81257251

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide?
The IUPAC name of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide (CID 113222064) is N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide is COCCn1cc(NC(=O)C=C(C)C)ccc1=O.
What is the InChIKey of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide?
The InChIKey is FLFBFLPSAZUEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)8-12(16)14-11-4-5-13(17)15(9-11)6-7-18-3/h4-5,8-9H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide?
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide has a molecular weight of 250.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide is sourced from PubChem (CID 113222064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).