6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide

C16H20N4O2 — CID 167957273

IUPAC6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide
SMILESNC1CCC2(CC1)CC2C(=O)Nc1cnc2c(c1)CNC2=O
InChIInChI=1S/C16H20N4O2/c17-10-1-3-16(4-2-10)6-12(16)14(21)20-11-5-9-7-19-15(22)13(9)18-8-11/h5,8,10,12H,1-4,6-7,17H2,(H,19,22)(H,20,21)
InChIKeyILWDRXCKDHXHTF-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.17
Rot. Bonds2

About 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide

6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide (PubChem CID 167957273) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide
PubChem CID167957273
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide
SMILESNC1CCC2(CC1)CC2C(=O)Nc1cnc2c(c1)CNC2=O
InChIInChI=1S/C16H20N4O2/c17-10-1-3-16(4-2-10)6-12(16)14(21)20-11-5-9-7-19-15(22)13(9)18-8-11/h5,8,10,12H,1-4,6-7,17H2,(H,19,22)(H,20,21)
InChIKeyILWDRXCKDHXHTF-UHFFFAOYSA-N
XLogP1.17
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide (CID 167957273) is 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide is NC1CCC2(CC1)CC2C(=O)Nc1cnc2c(c1)CNC2=O.
What is the InChIKey of 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide?
The InChIKey is ILWDRXCKDHXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-10-1-3-16(4-2-10)6-12(16)14(21)20-11-5-9-7-19-15(22)13(9)18-8-11/h5,8,10,12H,1-4,6-7,17H2,(H,19,22)(H,20,21).
What are the key properties of 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide?
6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 167957273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).