2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C16H18N4O3 — CID 96572653

IUPAC2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1N1CC[C@]3(CC(=O)NC3=O)C1)CCC2
InChIInChI=1S/C16H18N4O3/c17-13(22)10-6-9-2-1-3-11(9)18-14(10)20-5-4-16(8-20)7-12(21)19-15(16)23/h6H,1-5,7-8H2,(H2,17,22)(H,19,21,23)/t16-/m0/s1
InChIKeyONWPADDCHXFACF-INIZCTEOSA-N
MW314.35 g/mol
LogP-0.09
Rot. Bonds2

About 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 96572653) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID96572653
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1N1CC[C@]3(CC(=O)NC3=O)C1)CCC2
InChIInChI=1S/C16H18N4O3/c17-13(22)10-6-9-2-1-3-11(9)18-14(10)20-5-4-16(8-20)7-12(21)19-15(16)23/h6H,1-5,7-8H2,(H2,17,22)(H,19,21,23)/t16-/m0/s1
InChIKeyONWPADDCHXFACF-INIZCTEOSA-N
XLogP-0.09
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 96572653) is 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)c1cc2c(nc1N1CC[C@]3(CC(=O)NC3=O)C1)CCC2.
What is the InChIKey of 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is ONWPADDCHXFACF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N4O3/c17-13(22)10-6-9-2-1-3-11(9)18-14(10)20-5-4-16(8-20)7-12(21)19-15(16)23/h6H,1-5,7-8H2,(H2,17,22)(H,19,21,23)/t16-/m0/s1.
What are the key properties of 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 96572653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).