N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide

C18H17N3O3 — CID 11438688

IUPACN-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NN1C(=O)[C@@H]2C3C=CC(C4CC43)[C@@H]2C1=O
InChIInChI=1S/C18H17N3O3/c22-14(7-9-3-5-19-6-4-9)20-21-17(23)15-10-1-2-11(13-8-12(10)13)16(15)18(21)24/h1-6,10-13,15-16H,7-8H2,(H,20,22)/t10?,11?,12?,13?,15-,16+
InChIKeyHGOZFVZTVSHXND-MGXKEQJRSA-N
MW323.35 g/mol
LogP0.71
Rot. Bonds3

About N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide

N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide (PubChem CID 11438688) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide
PubChem CID11438688
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NN1C(=O)[C@@H]2C3C=CC(C4CC43)[C@@H]2C1=O
InChIInChI=1S/C18H17N3O3/c22-14(7-9-3-5-19-6-4-9)20-21-17(23)15-10-1-2-11(13-8-12(10)13)16(15)18(21)24/h1-6,10-13,15-16H,7-8H2,(H,20,22)/t10?,11?,12?,13?,15-,16+
InChIKeyHGOZFVZTVSHXND-MGXKEQJRSA-N
XLogP0.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.71
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-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide (CID 11438688) is N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)NN1C(=O)[C@@H]2C3C=CC(C4CC43)[C@@H]2C1=O.
What is the InChIKey of N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide?
The InChIKey is HGOZFVZTVSHXND-MGXKEQJRSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-14(7-9-3-5-19-6-4-9)20-21-17(23)15-10-1-2-11(13-8-12(10)13)16(15)18(21)24/h1-6,10-13,15-16H,7-8H2,(H,20,22)/t10?,11?,12?,13?,15-,16+.
What are the key properties of N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide?
N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide has a molecular weight of 323.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 11438688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).