5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol

C21H26N2O4 — CID 145267547

IUPAC5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol
SMILESCC/C=C(/C)c1cccc(Cn2cc(C=O)cc(C(=O)NC)c2=O)c1.CO
InChIInChI=1S/C20H22N2O3.CH4O/c1-4-6-14(2)17-8-5-7-15(9-17)11-22-12-16(13-23)10-18(20(22)25)19(24)21-3;1-2/h5-10,12-13H,4,11H2,1-3H3,(H,21,24);2H,1H3/b14-6-;
InChIKeySDAPQPMUZISWFT-WQMRFYCQSA-N
MW370.45 g/mol
LogP2.49
Rot. Bonds6

About 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol

5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol (PubChem CID 145267547) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol.

Molecular Properties

Compound Name5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol
PubChem CID145267547
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol
SMILESCC/C=C(/C)c1cccc(Cn2cc(C=O)cc(C(=O)NC)c2=O)c1.CO
InChIInChI=1S/C20H22N2O3.CH4O/c1-4-6-14(2)17-8-5-7-15(9-17)11-22-12-16(13-23)10-18(20(22)25)19(24)21-3;1-2/h5-10,12-13H,4,11H2,1-3H3,(H,21,24);2H,1H3/b14-6-;
InChIKeySDAPQPMUZISWFT-WQMRFYCQSA-N
XLogP2.49
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol with MolForge

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Launch Full Analysis

Related Compounds

5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 145267548
N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 145267435
1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide
CID 126676091
1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine
CID 145267553
5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 129022652
3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
butyl 1-[(3-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate
CID 126676042
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol?
The IUPAC name of 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol (CID 145267547) is 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol.
What is the SMILES notation for 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol?
The canonical SMILES for 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol is CC/C=C(/C)c1cccc(Cn2cc(C=O)cc(C(=O)NC)c2=O)c1.CO.
What is the InChIKey of 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol?
The InChIKey is SDAPQPMUZISWFT-WQMRFYCQSA-N. The full InChI is InChI=1S/C20H22N2O3.CH4O/c1-4-6-14(2)17-8-5-7-15(9-17)11-22-12-16(13-23)10-18(20(22)25)19(24)21-3;1-2/h5-10,12-13H,4,11H2,1-3H3,(H,21,24);2H,1H3/b14-6-;.
What are the key properties of 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol?
5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol has a molecular weight of 370.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol is sourced from PubChem (CID 145267547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).