5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

C20H18F3N3O — CID 42695045

IUPAC5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESCn1c2c(c3ccccc31)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C20H18F3N3O/c1-25-17-9-5-2-6-13(17)14-12-26(11-10-18(14)25)19(27)24-16-8-4-3-7-15(16)20(21,22)23/h2-9H,10-12H2,1H3,(H,24,27)
InChIKeySYMLZRZEWUVJTD-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.79
Rot. Bonds1

About 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (PubChem CID 42695045) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
PubChem CID42695045
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESCn1c2c(c3ccccc31)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C20H18F3N3O/c1-25-17-9-5-2-6-13(17)14-12-26(11-10-18(14)25)19(27)24-16-8-4-3-7-15(16)20(21,22)23/h2-9H,10-12H2,1H3,(H,24,27)
InChIKeySYMLZRZEWUVJTD-UHFFFAOYSA-N
XLogP4.79
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695075
1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066939
2-chloro-1-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 42695028
N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 156776145
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 50833817
3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60765025
(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089087
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788676
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147150
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3822630

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (CID 42695045) is 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is Cn1c2c(c3ccccc31)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The InChIKey is SYMLZRZEWUVJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-25-17-9-5-2-6-13(17)14-12-26(11-10-18(14)25)19(27)24-16-8-4-3-7-15(16)20(21,22)23/h2-9H,10-12H2,1H3,(H,24,27).
What are the key properties of 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 42695045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).