N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide

C18H23N3O2 — CID 128790712

IUPACN-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
SMILESCCn1cccc(NC(=O)N2CC3C4C=CC(CC4)C3C2)c1=O
InChIInChI=1S/C18H23N3O2/c1-2-20-9-3-4-16(17(20)22)19-18(23)21-10-14-12-5-6-13(8-7-12)15(14)11-21/h3-6,9,12-15H,2,7-8,10-11H2,1H3,(H,19,23)
InChIKeyWWDXYYTWWRXUTF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.54
Rot. Bonds2

About N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide

N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide (PubChem CID 128790712) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
PubChem CID128790712
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
SMILESCCn1cccc(NC(=O)N2CC3C4C=CC(CC4)C3C2)c1=O
InChIInChI=1S/C18H23N3O2/c1-2-20-9-3-4-16(17(20)22)19-18(23)21-10-14-12-5-6-13(8-7-12)15(14)11-21/h3-6,9,12-15H,2,7-8,10-11H2,1H3,(H,19,23)
InChIKeyWWDXYYTWWRXUTF-UHFFFAOYSA-N
XLogP2.54
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,4-thiazepane-4-carboxamide
CID 124623963
1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea
CID 154793799
1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086570
(2S)-1-acetyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 154779634
2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid
CID 11820421
(2R,6S)-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 128625396
N-(1-methyl-2-oxo-3-pyridinyl)-2-phenylmorpholine-4-carboxamide
CID 71992056
N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 99696808
N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 18582367
(3R,4S)-3-cyclopropyl-4-hydroxy-N-(1-oxo-2H-isoquinolin-5-yl)pyrrolidine-1-carboxamide
CID 167901515
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 156607502
1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclopropylurea
CID 167960559

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide?
The IUPAC name of N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide (CID 128790712) is N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide is CCn1cccc(NC(=O)N2CC3C4C=CC(CC4)C3C2)c1=O.
What is the InChIKey of N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide?
The InChIKey is WWDXYYTWWRXUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-20-9-3-4-16(17(20)22)19-18(23)21-10-14-12-5-6-13(8-7-12)15(14)11-21/h3-6,9,12-15H,2,7-8,10-11H2,1H3,(H,19,23).
What are the key properties of N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide?
N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3-pyridinyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide is sourced from PubChem (CID 128790712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).