N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide

C17H15N3O3 — CID 7331873

IUPACN-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C12CC2)c1ccncc1
InChIInChI=1S/C17H15N3O3/c21-14(9-3-7-18-8-4-9)19-20-15(22)12-10-1-2-11(13(12)16(20)23)17(10)5-6-17/h1-4,7-8,10-13H,5-6H2,(H,19,21)/t10-,11+,12+,13-
InChIKeyQWNBYHIXRNOAAV-FNFFVJSTSA-N
MW309.32 g/mol
LogP0.92
Rot. Bonds2

About N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide

N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide (PubChem CID 7331873) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide
PubChem CID7331873
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C12CC2)c1ccncc1
InChIInChI=1S/C17H15N3O3/c21-14(9-3-7-18-8-4-9)19-20-15(22)12-10-1-2-11(13(12)16(20)23)17(10)5-6-17/h1-4,7-8,10-13H,5-6H2,(H,19,21)/t10-,11+,12+,13-
InChIKeyQWNBYHIXRNOAAV-FNFFVJSTSA-N
XLogP0.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide (CID 7331873) is N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide is O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C12CC2)c1ccncc1.
What is the InChIKey of N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide?
The InChIKey is QWNBYHIXRNOAAV-FNFFVJSTSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-14(9-3-7-18-8-4-9)19-20-15(22)12-10-1-2-11(13(12)16(20)23)17(10)5-6-17/h1-4,7-8,10-13H,5-6H2,(H,19,21)/t10-,11+,12+,13-.
What are the key properties of N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide?
N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 7331873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).