3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide

C15H22N4O — CID 140647065

IUPAC3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide
SMILESNC(=O)C1=CN2CC3NCC4CCCC4N3CC2=CC1
InChIInChI=1S/C15H22N4O/c16-15(20)11-4-5-12-8-19-13-3-1-2-10(13)6-17-14(19)9-18(12)7-11/h5,7,10,13-14,17H,1-4,6,8-9H2,(H2,16,20)
InChIKeyKIZWCRJLLFSOEB-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.36
Rot. Bonds1

About 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide

3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide (PubChem CID 140647065) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide.

Molecular Properties

Compound Name3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide
PubChem CID140647065
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide
SMILESNC(=O)C1=CN2CC3NCC4CCCC4N3CC2=CC1
InChIInChI=1S/C15H22N4O/c16-15(20)11-4-5-12-8-19-13-3-1-2-10(13)6-17-14(19)9-18(12)7-11/h5,7,10,13-14,17H,1-4,6,8-9H2,(H2,16,20)
InChIKeyKIZWCRJLLFSOEB-UHFFFAOYSA-N
XLogP0.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide with MolForge

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Related Compounds

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1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide?
The IUPAC name of 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide (CID 140647065) is 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide.
What is the SMILES notation for 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide?
The canonical SMILES for 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide is NC(=O)C1=CN2CC3NCC4CCCC4N3CC2=CC1.
What is the InChIKey of 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide?
The InChIKey is KIZWCRJLLFSOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-15(20)11-4-5-12-8-19-13-3-1-2-10(13)6-17-14(19)9-18(12)7-11/h5,7,10,13-14,17H,1-4,6,8-9H2,(H2,16,20).
What are the key properties of 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide?
3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide is sourced from PubChem (CID 140647065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).