7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide

C13H12F3N3O — CID 162568668

IUPAC7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide
SMILESNC(=O)n1c2c(c3ccc(C(F)(F)F)cc31)CNCC2
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)7-1-2-8-9-6-18-4-3-10(9)19(12(17)20)11(8)5-7/h1-2,5,18H,3-4,6H2,(H2,17,20)
InChIKeyKSZFJNIHZFEUGD-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.23
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide

7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide (PubChem CID 162568668) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide
PubChem CID162568668
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide
SMILESNC(=O)n1c2c(c3ccc(C(F)(F)F)cc31)CNCC2
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)7-1-2-8-9-6-18-4-3-10(9)19(12(17)20)11(8)5-7/h1-2,5,18H,3-4,6H2,(H2,17,20)
InChIKeyKSZFJNIHZFEUGD-UHFFFAOYSA-N
XLogP2.23
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide (CID 162568668) is 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide is NC(=O)n1c2c(c3ccc(C(F)(F)F)cc31)CNCC2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide?
The InChIKey is KSZFJNIHZFEUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)7-1-2-8-9-6-18-4-3-10(9)19(12(17)20)11(8)5-7/h1-2,5,18H,3-4,6H2,(H2,17,20).
What are the key properties of 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide?
7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-carboxamide is sourced from PubChem (CID 162568668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).