1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C20H22FN3O4 — CID 126676370

IUPAC1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2CO)cn(Cc2cccc(C)c2F)c1=O
InChIInChI=1S/C20H22FN3O4/c1-11-4-3-5-12(17(11)21)8-24-9-13(6-15(20(24)28)19(27)22-2)18(26)23-16-7-14(16)10-25/h3-6,9,14,16,25H,7-8,10H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyQUJCZDCXPQPHLG-UHFFFAOYSA-N
MW387.41 g/mol
LogP0.81
Rot. Bonds6

About 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126676370) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID126676370
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2CO)cn(Cc2cccc(C)c2F)c1=O
InChIInChI=1S/C20H22FN3O4/c1-11-4-3-5-12(17(11)21)8-24-9-13(6-15(20(24)28)19(27)22-2)18(26)23-16-7-14(16)10-25/h3-6,9,14,16,25H,7-8,10H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyQUJCZDCXPQPHLG-UHFFFAOYSA-N
XLogP0.81
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676368
1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676131
1-benzyl-3-N-methyl-2-oxo-5-N-[(1R,2R)-2-propylcyclopropyl]pyridine-3,5-dicarboxamide
CID 139538162
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676868
5-N-[(1S,2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675277
1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005
tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
CID 139538195
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide;5-[2-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 161227412
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676266

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 126676370) is 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2CO)cn(Cc2cccc(C)c2F)c1=O.
What is the InChIKey of 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is QUJCZDCXPQPHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-11-4-3-5-12(17(11)21)8-24-9-13(6-15(20(24)28)19(27)22-2)18(26)23-16-7-14(16)10-25/h3-6,9,14,16,25H,7-8,10H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 387.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126676370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).