3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide

C20H20N4O3 — CID 55920417

IUPAC3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-23(13-14-5-4-6-15(11-14)20(21)27)19(26)9-10-24-17-8-3-2-7-16(17)18(25)12-22-24/h2-8,11-12H,9-10,13H2,1H3,(H2,21,27)
InChIKeyJFCMCNJDZWQZTA-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.54
Rot. Bonds6

About 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide

3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide (PubChem CID 55920417) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide
PubChem CID55920417
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-23(13-14-5-4-6-15(11-14)20(21)27)19(26)9-10-24-17-8-3-2-7-16(17)18(25)12-22-24/h2-8,11-12H,9-10,13H2,1H3,(H2,21,27)
InChIKeyJFCMCNJDZWQZTA-UHFFFAOYSA-N
XLogP1.54
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide
CID 86834839
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 134016311
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
CID 87001719
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960269
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 55413062
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide?
The IUPAC name of 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide (CID 55920417) is 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide is CN(Cc1cccc(C(N)=O)c1)C(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide?
The InChIKey is JFCMCNJDZWQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-23(13-14-5-4-6-15(11-14)20(21)27)19(26)9-10-24-17-8-3-2-7-16(17)18(25)12-22-24/h2-8,11-12H,9-10,13H2,1H3,(H2,21,27).
What are the key properties of 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide?
3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 55920417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).