5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide

C16H18FN3O — CID 121293797

IUPAC5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(C3=CCCNC3)c2c1C
InChIInChI=1S/C16H18FN3O/c1-8-9(2)20-15-11(16(18)21)6-12(17)14(13(8)15)10-4-3-5-19-7-10/h4,6,19-20H,3,5,7H2,1-2H3,(H2,18,21)
InChIKeyRWIQWJGOYRJGKT-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.40
Rot. Bonds2

About 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide

5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide (PubChem CID 121293797) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide
PubChem CID121293797
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(C3=CCCNC3)c2c1C
InChIInChI=1S/C16H18FN3O/c1-8-9(2)20-15-11(16(18)21)6-12(17)14(13(8)15)10-4-3-5-19-7-10/h4,6,19-20H,3,5,7H2,1-2H3,(H2,18,21)
InChIKeyRWIQWJGOYRJGKT-UHFFFAOYSA-N
XLogP2.40
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide (CID 121293797) is 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide is Cc1[nH]c2c(C(N)=O)cc(F)c(C3=CCCNC3)c2c1C.
What is the InChIKey of 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide?
The InChIKey is RWIQWJGOYRJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-8-9(2)20-15-11(16(18)21)6-12(17)14(13(8)15)10-4-3-5-19-7-10/h4,6,19-20H,3,5,7H2,1-2H3,(H2,18,21).
What are the key properties of 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide?
5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 121293797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).