(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide

C17H17N3O4 — CID 98208567

IUPAC(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide
SMILESC[C@H](C(=O)Nc1ncccc1O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C17H17N3O4/c1-8(15(22)19-14-11(21)3-2-6-18-14)20-16(23)12-9-4-5-10(7-9)13(12)17(20)24/h2-6,8-10,12-13,21H,7H2,1H3,(H,18,19,22)/t8-,9+,10+,12+,13+/m1/s1
InChIKeyOETQWJJUYKYRSZ-TZIOMAPQSA-N
MW327.34 g/mol
LogP0.92
Rot. Bonds3

About (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide

(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide (PubChem CID 98208567) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide
PubChem CID98208567
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide
SMILESC[C@H](C(=O)Nc1ncccc1O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C17H17N3O4/c1-8(15(22)19-14-11(21)3-2-6-18-14)20-16(23)12-9-4-5-10(7-9)13(12)17(20)24/h2-6,8-10,12-13,21H,7H2,1H3,(H,18,19,22)/t8-,9+,10+,12+,13+/m1/s1
InChIKeyOETQWJJUYKYRSZ-TZIOMAPQSA-N
XLogP0.92
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide with MolForge

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Related Compounds

(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-hydroxyphenyl)propanamide
CID 98124688
(2S)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-6-ylpropanamide
CID 98123588
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)-3-phenylpropanamide
CID 50740495
(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinoxalin-6-ylpropanamide
CID 98123597
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 54775133
N-(4-chlorophenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
CID 18851892
(2S)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(9-oxofluoren-2-yl)propanamide
CID 98208570
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 103630280
2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 53276826
(2S)-N-(4-bromo-2-methylphenyl)-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
CID 124716930
(2R)-N-(2,6-dimethylphenyl)-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]propanamide
CID 98304494
ethyl 4-[[(2R)-2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanoyl]amino]benzoate
CID 99725095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide?
The IUPAC name of (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide (CID 98208567) is (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide is C[C@H](C(=O)Nc1ncccc1O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1.
What is the InChIKey of (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide?
The InChIKey is OETQWJJUYKYRSZ-TZIOMAPQSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-8(15(22)19-14-11(21)3-2-6-18-14)20-16(23)12-9-4-5-10(7-9)13(12)17(20)24/h2-6,8-10,12-13,21H,7H2,1H3,(H,18,19,22)/t8-,9+,10+,12+,13+/m1/s1.
What are the key properties of (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide?
(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide has a molecular weight of 327.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-hydroxy-2-pyridinyl)propanamide is sourced from PubChem (CID 98208567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).