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

C13H10N4O3 — CID 43643095

IUPAC4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C13H10N4O3/c14-6-3-10(15-5-6)13(20)16-7-1-2-8-9(4-7)12(19)17-11(8)18/h1-5,15H,14H2,(H,16,20)(H,17,18,19)
InChIKeyKJGPANZXBJVADM-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.73
Rot. Bonds2

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

4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 43643095) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID43643095
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C13H10N4O3/c14-6-3-10(15-5-6)13(20)16-7-1-2-8-9(4-7)12(19)17-11(8)18/h1-5,15H,14H2,(H,16,20)(H,17,18,19)
InChIKeyKJGPANZXBJVADM-UHFFFAOYSA-N
XLogP0.73
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 28834338
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-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide
CID 43826072
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
CID 43643375
6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide
CID 62234890
4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642905
4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 62634029

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide (CID 43643095) is 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1.
What is the InChIKey of 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is KJGPANZXBJVADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c14-6-3-10(15-5-6)13(20)16-7-1-2-8-9(4-7)12(19)17-11(8)18/h1-5,15H,14H2,(H,16,20)(H,17,18,19).
What are the key properties of 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).