3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide

C18H19N3O3 — CID 98304556

IUPAC3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2CC1)Nc1ccccn1
InChIInChI=1S/C18H19N3O3/c22-14(20-13-3-1-2-9-19-13)8-10-21-17(23)15-11-4-5-12(7-6-11)16(15)18(21)24/h1-5,9,11-12,15-16H,6-8,10H2,(H,19,20,22)/t11-,12-,15-,16+/m0/s1
InChIKeyONUKBZATYRVCDZ-GVAFMPQTSA-N
MW325.37 g/mol
LogP1.61
Rot. Bonds4

About 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide

3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide (PubChem CID 98304556) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide
PubChem CID98304556
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2CC1)Nc1ccccn1
InChIInChI=1S/C18H19N3O3/c22-14(20-13-3-1-2-9-19-13)8-10-21-17(23)15-11-4-5-12(7-6-11)16(15)18(21)24/h1-5,9,11-12,15-16H,6-8,10H2,(H,19,20,22)/t11-,12-,15-,16+/m0/s1
InChIKeyONUKBZATYRVCDZ-GVAFMPQTSA-N
XLogP1.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.61
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'}

Analyze 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-3-phenyl-N-pyridin-2-ylpropanamide
CID 98304977
1-[(1R)-1-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]ethyl]-3-pyridin-2-ylurea
CID 98230803
3-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 98224496
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 53276826
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
3-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methylphenyl)propanamide
CID 6541994
N-(1,3-benzodioxol-5-yl)-3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]propanamide
CID 98521150
N-(2,6-difluorophenyl)-3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
CID 98394477
3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 98613012
3-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 53298046
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide (CID 98304556) is 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide is O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2CC1)Nc1ccccn1.
What is the InChIKey of 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is ONUKBZATYRVCDZ-GVAFMPQTSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-14(20-13-3-1-2-9-19-13)8-10-21-17(23)15-11-4-5-12(7-6-11)16(15)18(21)24/h1-5,9,11-12,15-16H,6-8,10H2,(H,19,20,22)/t11-,12-,15-,16+/m0/s1.
What are the key properties of 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide?
3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 325.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 98304556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).