6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C15H18FN3O — CID 113090116

IUPAC6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCC(C)NC(=O)N1CCc2c([nH]c3ccc(F)cc23)C1
InChIInChI=1S/C15H18FN3O/c1-9(2)17-15(20)19-6-5-11-12-7-10(16)3-4-13(12)18-14(11)8-19/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyBYBPQSMFIUSLRO-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.78
Rot. Bonds1

About 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 113090116) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID113090116
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCC(C)NC(=O)N1CCc2c([nH]c3ccc(F)cc23)C1
InChIInChI=1S/C15H18FN3O/c1-9(2)17-15(20)19-6-5-11-12-7-10(16)3-4-13(12)18-14(11)8-19/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyBYBPQSMFIUSLRO-UHFFFAOYSA-N
XLogP2.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 113090109
8-methoxy-N-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 113089350
N-(5-fluoro-2-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 23935329
2-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 113090091
2-(3-bromophenyl)-1-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 113090112
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
CID 32836266
6-fluoro-2-propylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090120
6-chloro-N-[2-(3-methylbutylamino)-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42571676
6-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090132
N-(6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-N-methylcarbamoyl iodide
CID 118884497
N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 127253642

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 113090116) is 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is CC(C)NC(=O)N1CCc2c([nH]c3ccc(F)cc23)C1.
What is the InChIKey of 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is BYBPQSMFIUSLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9(2)17-15(20)19-6-5-11-12-7-10(16)3-4-13(12)18-14(11)8-19/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,17,20).
What are the key properties of 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 113090116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).