3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid

C19H22N4O5 — CID 135341859

IUPAC3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
SMILESCNC(=O)c1cc(C(=O)NCCCNC(=O)O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C19H22N4O5/c1-20-17(25)15-10-14(16(24)21-8-5-9-22-19(27)28)12-23(18(15)26)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,22H,5,8-9,11H2,1H3,(H,20,25)(H,21,24)(H,27,28)
InChIKeyAOCGRWXIKYRYIG-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.64
Rot. Bonds8

About 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid

3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid (PubChem CID 135341859) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid.

Molecular Properties

Compound Name3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
PubChem CID135341859
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
SMILESCNC(=O)c1cc(C(=O)NCCCNC(=O)O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C19H22N4O5/c1-20-17(25)15-10-14(16(24)21-8-5-9-22-19(27)28)12-23(18(15)26)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,22H,5,8-9,11H2,1H3,(H,20,25)(H,21,24)(H,27,28)
InChIKeyAOCGRWXIKYRYIG-UHFFFAOYSA-N
XLogP0.64
TPSA129.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
1-benzyl-5-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126721346
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide
CID 129022866
1-benzyl-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590
5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 129022652
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid
CID 126721348
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
1-benzyl-3-N-methyl-2-oxo-5-N-pyridazin-4-ylpyridine-3,5-dicarboxamide
CID 135341776
1-benzyl-5-N-[(1S,3R)-3-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323832

Frequently Asked Questions

What is the IUPAC name of 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid?
The IUPAC name of 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid (CID 135341859) is 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid.
What is the SMILES notation for 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid?
The canonical SMILES for 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid is CNC(=O)c1cc(C(=O)NCCCNC(=O)O)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid?
The InChIKey is AOCGRWXIKYRYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-20-17(25)15-10-14(16(24)21-8-5-9-22-19(27)28)12-23(18(15)26)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,22H,5,8-9,11H2,1H3,(H,20,25)(H,21,24)(H,27,28).
What are the key properties of 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid?
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid has a molecular weight of 386.41 g/mol, XLogP of 0.64, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid is sourced from PubChem (CID 135341859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).