N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide

C17H17N3O — CID 143783441

IUPACN-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide
SMILESCn1ccc2cc(NC(=O)C3=CCCC4=C3CN4)ccc21
InChIInChI=1S/C17H17N3O/c1-20-8-7-11-9-12(5-6-16(11)20)19-17(21)13-3-2-4-15-14(13)10-18-15/h3,5-9,18H,2,4,10H2,1H3,(H,19,21)
InChIKeyUETFQJSIGBNSGI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.69
Rot. Bonds2

About N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide

N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide (PubChem CID 143783441) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide
PubChem CID143783441
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide
SMILESCn1ccc2cc(NC(=O)C3=CCCC4=C3CN4)ccc21
InChIInChI=1S/C17H17N3O/c1-20-8-7-11-9-12(5-6-16(11)20)19-17(21)13-3-2-4-15-14(13)10-18-15/h3,5-9,18H,2,4,10H2,1H3,(H,19,21)
InChIKeyUETFQJSIGBNSGI-UHFFFAOYSA-N
XLogP2.69
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide?
The IUPAC name of N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide (CID 143783441) is N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide.
What is the SMILES notation for N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide?
The canonical SMILES for N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide is Cn1ccc2cc(NC(=O)C3=CCCC4=C3CN4)ccc21.
What is the InChIKey of N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide?
The InChIKey is UETFQJSIGBNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20-8-7-11-9-12(5-6-16(11)20)19-17(21)13-3-2-4-15-14(13)10-18-15/h3,5-9,18H,2,4,10H2,1H3,(H,19,21).
What are the key properties of N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide?
N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide is sourced from PubChem (CID 143783441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).