N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide

C14H11N3O3 — CID 110461124

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc[nH]3)cc2C1=O
InChIInChI=1S/C14H11N3O3/c1-17-13(19)9-5-4-8(7-10(9)14(17)20)16-12(18)11-3-2-6-15-11/h2-7,15H,1H3,(H,16,18)
InChIKeyOQOIIEQUPFKUPR-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.49
Rot. Bonds2

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 110461124) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID110461124
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc[nH]3)cc2C1=O
InChIInChI=1S/C14H11N3O3/c1-17-13(19)9-5-4-8(7-10(9)14(17)20)16-12(18)11-3-2-6-15-11/h2-7,15H,1H3,(H,16,18)
InChIKeyOQOIIEQUPFKUPR-UHFFFAOYSA-N
XLogP1.49
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43642778
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,5-dinitrobenzamide
CID 4536464
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210699
5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
CID 31508122
4-fluoro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 31508762
4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 42030668
N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 28741153
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide (CID 110461124) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide is CN1C(=O)c2ccc(NC(=O)c3ccc[nH]3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OQOIIEQUPFKUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-17-13(19)9-5-4-8(7-10(9)14(17)20)16-12(18)11-3-2-6-15-11/h2-7,15H,1H3,(H,16,18).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110461124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).