5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C20H22FN3O4 — CID 126676868

IUPAC5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCCO[C@H]1CC1NC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C20H22FN3O4/c1-3-28-17-9-16(17)23-18(25)13-8-15(19(26)22-2)20(27)24(11-13)10-12-5-4-6-14(21)7-12/h4-8,11,16-17H,3,9-10H2,1-2H3,(H,22,26)(H,23,25)/t16?,17-/m0/s1
InChIKeySWLFNGVJQLDUMV-DJNXLDHESA-N
MW387.41 g/mol
LogP1.30
Rot. Bonds7

About 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126676868) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID126676868
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCCO[C@H]1CC1NC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C20H22FN3O4/c1-3-28-17-9-16(17)23-18(25)13-8-15(19(26)22-2)20(27)24(11-13)10-12-5-4-6-14(21)7-12/h4-8,11,16-17H,3,9-10H2,1-2H3,(H,22,26)(H,23,25)/t16?,17-/m0/s1
InChIKeySWLFNGVJQLDUMV-DJNXLDHESA-N
XLogP1.30
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide with MolForge

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Related Compounds

5-N-[(1S,2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675277
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005
butyl 1-[(3-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate
CID 126676042
1-benzyl-3-N-methyl-2-oxo-5-N-[(1R,2R)-2-propylcyclopropyl]pyridine-3,5-dicarboxamide
CID 139538162
1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676131
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538193
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 126676097
1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676368
tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
CID 139538195

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 126676868) is 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CCO[C@H]1CC1NC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(F)c2)c1.
What is the InChIKey of 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is SWLFNGVJQLDUMV-DJNXLDHESA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-3-28-17-9-16(17)23-18(25)13-8-15(19(26)22-2)20(27)24(11-13)10-12-5-4-6-14(21)7-12/h4-8,11,16-17H,3,9-10H2,1-2H3,(H,22,26)(H,23,25)/t16?,17-/m0/s1.
What are the key properties of 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 387.41 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126676868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).