4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid

C19H21N3O5 — CID 174906842

IUPAC4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid
SMILESCNC(=O)c1cc(N(C=O)CCCC(=O)O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C19H21N3O5/c1-20-18(26)16-10-15(21(13-23)9-5-8-17(24)25)12-22(19(16)27)11-14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3,(H,20,26)(H,24,25)
InChIKeyFMJUOPMKRQTPPY-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.08
Rot. Bonds9

About 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid

4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid (PubChem CID 174906842) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid
PubChem CID174906842
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid
SMILESCNC(=O)c1cc(N(C=O)CCCC(=O)O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C19H21N3O5/c1-20-18(26)16-10-15(21(13-23)9-5-8-17(24)25)12-22(19(16)27)11-14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3,(H,20,26)(H,24,25)
InChIKeyFMJUOPMKRQTPPY-UHFFFAOYSA-N
XLogP1.08
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 159311932
1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide
CID 158183554
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine
CID 145267553
1-benzyl-3-N-methyl-2-oxo-5-N-[(1R,2R)-2-propylcyclopropyl]pyridine-3,5-dicarboxamide
CID 139538162
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
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-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294

Frequently Asked Questions

What is the IUPAC name of 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid?
The IUPAC name of 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid (CID 174906842) is 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid.
What is the SMILES notation for 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid?
The canonical SMILES for 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid is CNC(=O)c1cc(N(C=O)CCCC(=O)O)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid?
The InChIKey is FMJUOPMKRQTPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-20-18(26)16-10-15(21(13-23)9-5-8-17(24)25)12-22(19(16)27)11-14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid?
4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid has a molecular weight of 371.39 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid is sourced from PubChem (CID 174906842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).