2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C13H15N3O2 — CID 114391467

IUPAC2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(c3ccncc3N)C(=O)C2C1
InChIInChI=1S/C13H15N3O2/c1-7-4-8-9(5-7)13(18)16(12(8)17)11-2-3-15-6-10(11)14/h2-3,6-9H,4-5,14H2,1H3
InChIKeyHPFCFPMBVOGZEE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.20
Rot. Bonds1

About 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114391467) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114391467
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(c3ccncc3N)C(=O)C2C1
InChIInChI=1S/C13H15N3O2/c1-7-4-8-9(5-7)13(18)16(12(8)17)11-2-3-15-6-10(11)14/h2-3,6-9H,4-5,14H2,1H3
InChIKeyHPFCFPMBVOGZEE-UHFFFAOYSA-N
XLogP1.20
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

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Related Compounds

2-(2-amino-4-hydroxyphenyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107698076
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
CID 145199464
2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303443
1-(3-amino-4-pyridinyl)azetidin-2-one
CID 107342126
1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione
CID 63063639
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
CID 79688892
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 55011051
4-methyl-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)benzenecarbothioamide
CID 114392323
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
(3aR,7S,7aR)-5-(3-amino-4-pyridinyl)-7-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one
CID 141339002

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114391467) is 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1CC2C(=O)N(c3ccncc3N)C(=O)C2C1.
What is the InChIKey of 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is HPFCFPMBVOGZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7-4-8-9(5-7)13(18)16(12(8)17)11-2-3-15-6-10(11)14/h2-3,6-9H,4-5,14H2,1H3.
What are the key properties of 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-pyridinyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114391467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).