4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide

C15H19N3O — CID 21460821

IUPAC4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
SMILESCCN(C)C1Cc2c[nH]c3ccc(C(N)=O)c(c23)C1
InChIInChI=1S/C15H19N3O/c1-3-18(2)10-6-9-8-17-13-5-4-11(15(16)19)12(7-10)14(9)13/h4-5,8,10,17H,3,6-7H2,1-2H3,(H2,16,19)
InChIKeyAKUREHHBVFMJLO-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.69
Rot. Bonds3

About 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide

4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide (PubChem CID 21460821) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
PubChem CID21460821
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
SMILESCCN(C)C1Cc2c[nH]c3ccc(C(N)=O)c(c23)C1
InChIInChI=1S/C15H19N3O/c1-3-18(2)10-6-9-8-17-13-5-4-11(15(16)19)12(7-10)14(9)13/h4-5,8,10,17H,3,6-7H2,1-2H3,(H2,16,19)
InChIKeyAKUREHHBVFMJLO-UHFFFAOYSA-N
XLogP1.69
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide?
The IUPAC name of 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide (CID 21460821) is 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide is CCN(C)C1Cc2c[nH]c3ccc(C(N)=O)c(c23)C1.
What is the InChIKey of 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide?
The InChIKey is AKUREHHBVFMJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-18(2)10-6-9-8-17-13-5-4-11(15(16)19)12(7-10)14(9)13/h4-5,8,10,17H,3,6-7H2,1-2H3,(H2,16,19).
What are the key properties of 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide?
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide is sourced from PubChem (CID 21460821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).