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

C17H20FN3O3 — CID 145267435

IUPACN-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C=O)cn(Cc2cccc(C)c2)c1=O.CNF
InChIInChI=1S/C16H16N2O3.CH4FN/c1-11-4-3-5-12(6-11)8-18-9-13(10-19)7-14(16(18)21)15(20)17-2;1-3-2/h3-7,9-10H,8H2,1-2H3,(H,17,20);3H,1H3
InChIKeyRQYYYDJDWDDJNE-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.47
Rot. Bonds4

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

N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 145267435) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID145267435
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C=O)cn(Cc2cccc(C)c2)c1=O.CNF
InChIInChI=1S/C16H16N2O3.CH4FN/c1-11-4-3-5-12(6-11)8-18-9-13(10-19)7-14(16(18)21)15(20)17-2;1-3-2/h3-7,9-10H,8H2,1-2H3,(H,17,20);3H,1H3
InChIKeyRQYYYDJDWDDJNE-UHFFFAOYSA-N
XLogP1.47
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide
CID 126676091
3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 129022652
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine
CID 145267553
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523143
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 158142498
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841

Frequently Asked Questions

What is the IUPAC name of N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 145267435) is N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C=O)cn(Cc2cccc(C)c2)c1=O.CNF.
What is the InChIKey of N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is RQYYYDJDWDDJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3.CH4FN/c1-11-4-3-5-12(6-11)8-18-9-13(10-19)7-14(16(18)21)15(20)17-2;1-3-2/h3-7,9-10H,8H2,1-2H3,(H,17,20);3H,1H3.
What are the key properties of N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 145267435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).