3-oxoisoindole-5-carboxamide

C9H6N2O2 — CID 170564553

IUPAC3-oxoisoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)N=C2
InChIInChI=1S/C9H6N2O2/c10-8(12)5-1-2-6-4-11-9(13)7(6)3-5/h1-4H,(H2,10,12)
InChIKeyOPKCJKVWDMLYCV-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.36
Rot. Bonds1

About 3-oxoisoindole-5-carboxamide

3-oxoisoindole-5-carboxamide (PubChem CID 170564553) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-oxoisoindole-5-carboxamide.

Molecular Properties

Compound Name3-oxoisoindole-5-carboxamide
PubChem CID170564553
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name3-oxoisoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)N=C2
InChIInChI=1S/C9H6N2O2/c10-8(12)5-1-2-6-4-11-9(13)7(6)3-5/h1-4H,(H2,10,12)
InChIKeyOPKCJKVWDMLYCV-UHFFFAOYSA-N
XLogP0.36
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174574401
4-fluoro-3-(4-fluorophenyl)benzamide
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CID 142672205
3-[4-(5-carbamoyl-2-phenylphenyl)phenyl]-4-phenylbenzamide
CID 141346150
1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide
CID 163933343
1,2-dihydroisoquinoline-7-carboxamide
CID 67281504
1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 82041242
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
benzene-1,4-dicarboxamide;isoindole-1,3-dione
CID 18786708
4-methylidene-3H-quinazoline-2,7-dicarboxamide
CID 143679492
4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754

Frequently Asked Questions

What is the IUPAC name of 3-oxoisoindole-5-carboxamide?
The IUPAC name of 3-oxoisoindole-5-carboxamide (CID 170564553) is 3-oxoisoindole-5-carboxamide.
What is the SMILES notation for 3-oxoisoindole-5-carboxamide?
The canonical SMILES for 3-oxoisoindole-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)N=C2.
What is the InChIKey of 3-oxoisoindole-5-carboxamide?
The InChIKey is OPKCJKVWDMLYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c10-8(12)5-1-2-6-4-11-9(13)7(6)3-5/h1-4H,(H2,10,12).
What are the key properties of 3-oxoisoindole-5-carboxamide?
3-oxoisoindole-5-carboxamide has a molecular weight of 174.16 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxoisoindole-5-carboxamide is sourced from PubChem (CID 170564553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).