5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide

C20H24N4O3 — CID 126676126

IUPAC5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccc(NC)c2)c1=O
InChIInChI=1S/C20H24N4O3/c1-21-16-8-3-5-13(9-16)11-24-12-14(18(25)23-15-6-4-7-15)10-17(20(24)27)19(26)22-2/h3,5,8-10,12,15,21H,4,6-7,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyQHBRTCOBYVKEPI-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.58
Rot. Bonds6

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

5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126676126) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide
PubChem CID126676126
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccc(NC)c2)c1=O
InChIInChI=1S/C20H24N4O3/c1-21-16-8-3-5-13(9-16)11-24-12-14(18(25)23-15-6-4-7-15)10-17(20(24)27)19(26)22-2/h3,5,8-10,12,15,21H,4,6-7,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyQHBRTCOBYVKEPI-UHFFFAOYSA-N
XLogP1.58
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide (CID 126676126) is 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccc(NC)c2)c1=O.
What is the InChIKey of 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is QHBRTCOBYVKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-21-16-8-3-5-13(9-16)11-24-12-14(18(25)23-15-6-4-7-15)10-17(20(24)27)19(26)22-2/h3,5,8-10,12,15,21H,4,6-7,11H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide?
5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclobutyl-3-N-methyl-1-[[3-(methylamino)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126676126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).