5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C19H19F2N3O4 — CID 139538193

IUPAC5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc(OC(F)F)c2)c1=O
InChIInChI=1S/C19H19F2N3O4/c1-22-17(26)15-8-12(16(25)23-13-5-6-13)10-24(18(15)27)9-11-3-2-4-14(7-11)28-19(20)21/h2-4,7-8,10,13,19H,5-6,9H2,1H3,(H,22,26)(H,23,25)
InChIKeyOYXSPXMGEQHYCS-UHFFFAOYSA-N
MW391.37 g/mol
LogP1.75
Rot. Bonds7

About 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 139538193) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID139538193
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc(OC(F)F)c2)c1=O
InChIInChI=1S/C19H19F2N3O4/c1-22-17(26)15-8-12(16(25)23-13-5-6-13)10-24(18(15)27)9-11-3-2-4-14(7-11)28-19(20)21/h2-4,7-8,10,13,19H,5-6,9H2,1H3,(H,22,26)(H,23,25)
InChIKeyOYXSPXMGEQHYCS-UHFFFAOYSA-N
XLogP1.75
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 139538193) is 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc(OC(F)F)c2)c1=O.
What is the InChIKey of 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is OYXSPXMGEQHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c1-22-17(26)15-8-12(16(25)23-13-5-6-13)10-24(18(15)27)9-11-3-2-4-14(7-11)28-19(20)21/h2-4,7-8,10,13,19H,5-6,9H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 391.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 139538193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).