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

C14H12N4O3 — CID 43642778

IUPAC4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc(N)c[nH]3)cc2C1=O
InChIInChI=1S/C14H12N4O3/c1-18-13(20)9-3-2-8(5-10(9)14(18)21)17-12(19)11-4-7(15)6-16-11/h2-6,16H,15H2,1H3,(H,17,19)
InChIKeyRIALJSXCQYYMGT-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.08
Rot. Bonds2

About 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide

4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 43642778) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID43642778
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc(N)c[nH]3)cc2C1=O
InChIInChI=1S/C14H12N4O3/c1-18-13(20)9-3-2-8(5-10(9)14(18)21)17-12(19)11-4-7(15)6-16-11/h2-6,16H,15H2,1H3,(H,17,19)
InChIKeyRIALJSXCQYYMGT-UHFFFAOYSA-N
XLogP1.08
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43643095
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808582
4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
CID 107786819
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
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-(2-methyl-1,3-dioxoisoindol-5-yl)-3,5-dinitrobenzamide
CID 4536464

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide (CID 43642778) is 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide is CN1C(=O)c2ccc(NC(=O)c3cc(N)c[nH]3)cc2C1=O.
What is the InChIKey of 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is RIALJSXCQYYMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-18-13(20)9-3-2-8(5-10(9)14(18)21)17-12(19)11-4-7(15)6-16-11/h2-6,16H,15H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).