1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide

C22H28N4O4 — CID 126739685

IUPAC1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCCC2CNCCO2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H28N4O4/c1-23-21(28)19-12-17(15-26(22(19)29)14-16-6-3-2-4-7-16)20(27)25-9-5-8-18-13-24-10-11-30-18/h2-4,6-7,12,15,18,24H,5,8-11,13-14H2,1H3,(H,23,28)(H,25,27)
InChIKeyCMAOQOYFIZBHPA-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.75
Rot. Bonds8

About 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide

1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126739685) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide
PubChem CID126739685
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCCC2CNCCO2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H28N4O4/c1-23-21(28)19-12-17(15-26(22(19)29)14-16-6-3-2-4-7-16)20(27)25-9-5-8-18-13-24-10-11-30-18/h2-4,6-7,12,15,18,24H,5,8-11,13-14H2,1H3,(H,23,28)(H,25,27)
InChIKeyCMAOQOYFIZBHPA-UHFFFAOYSA-N
XLogP0.75
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide (CID 126739685) is 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NCCCC2CNCCO2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is CMAOQOYFIZBHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-23-21(28)19-12-17(15-26(22(19)29)14-16-6-3-2-4-7-16)20(27)25-9-5-8-18-13-24-10-11-30-18/h2-4,6-7,12,15,18,24H,5,8-11,13-14H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 412.49 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126739685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).