1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide

C14H15N3O — CID 84612878

IUPAC1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide
SMILESNC(=O)c1ccc2[nH]c3c(c2c1)N1CCC3CC1
InChIInChI=1S/C14H15N3O/c15-14(18)9-1-2-11-10(7-9)13-12(16-11)8-3-5-17(13)6-4-8/h1-2,7-8,16H,3-6H2,(H2,15,18)
InChIKeyGTQNZNGXUSTSIM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.96
Rot. Bonds1

About 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide

1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide (PubChem CID 84612878) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide.

Molecular Properties

Compound Name1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide
PubChem CID84612878
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide
SMILESNC(=O)c1ccc2[nH]c3c(c2c1)N1CCC3CC1
InChIInChI=1S/C14H15N3O/c15-14(18)9-1-2-11-10(7-9)13-12(16-11)8-3-5-17(13)6-4-8/h1-2,7-8,16H,3-6H2,(H2,15,18)
InChIKeyGTQNZNGXUSTSIM-UHFFFAOYSA-N
XLogP1.96
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide with MolForge

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Related Compounds

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3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
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4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
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CID 166107175
4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
CID 91833737
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CID 58495745
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2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
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2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
CID 174599482

Frequently Asked Questions

What is the IUPAC name of 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide?
The IUPAC name of 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide (CID 84612878) is 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide.
What is the SMILES notation for 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide?
The canonical SMILES for 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide is NC(=O)c1ccc2[nH]c3c(c2c1)N1CCC3CC1.
What is the InChIKey of 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide?
The InChIKey is GTQNZNGXUSTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)9-1-2-11-10(7-9)13-12(16-11)8-3-5-17(13)6-4-8/h1-2,7-8,16H,3-6H2,(H2,15,18).
What are the key properties of 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide?
1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carboxamide is sourced from PubChem (CID 84612878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).