1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide

C16H15FN2O3 — CID 126676091

IUPAC1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C=O)cn(Cc2cc(C)ccc2F)c1=O
InChIInChI=1S/C16H15FN2O3/c1-10-3-4-14(17)12(5-10)8-19-7-11(9-20)6-13(16(19)22)15(21)18-2/h3-7,9H,8H2,1-2H3,(H,18,21)
InChIKeyQHHBLTHYCNLDIJ-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.52
Rot. Bonds4

About 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide

1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 126676091) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID126676091
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C=O)cn(Cc2cc(C)ccc2F)c1=O
InChIInChI=1S/C16H15FN2O3/c1-10-3-4-14(17)12(5-10)8-19-7-11(9-20)6-13(16(19)22)15(21)18-2/h3-7,9H,8H2,1-2H3,(H,18,21)
InChIKeyQHHBLTHYCNLDIJ-UHFFFAOYSA-N
XLogP1.52
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 145267435
5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 145267548
5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol
CID 145267547
1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676266
2-fluoro-5-formyl-N-methylbenzamide
CID 131591850
1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine
CID 145267553
3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676368
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 126675407
1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676370

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide (CID 126676091) is 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C=O)cn(Cc2cc(C)ccc2F)c1=O.
What is the InChIKey of 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is QHHBLTHYCNLDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-10-3-4-14(17)12(5-10)8-19-7-11(9-20)6-13(16(19)22)15(21)18-2/h3-7,9H,8H2,1-2H3,(H,18,21).
What are the key properties of 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide?
1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 126676091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).