6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide

C22H19N3O — CID 118425006

IUPAC6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2cn(C)c3ccc(-c4cccc(C(N)=O)n4)cc23)cc1
InChIInChI=1S/C22H19N3O/c1-14-6-8-15(9-7-14)18-13-25(2)21-11-10-16(12-17(18)21)19-4-3-5-20(24-19)22(23)26/h3-13H,1-2H3,(H2,23,26)
InChIKeyGCRNFHVKJBLMMC-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.31
Rot. Bonds3

About 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide

6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide (PubChem CID 118425006) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide
PubChem CID118425006
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2cn(C)c3ccc(-c4cccc(C(N)=O)n4)cc23)cc1
InChIInChI=1S/C22H19N3O/c1-14-6-8-15(9-7-14)18-13-25(2)21-11-10-16(12-17(18)21)19-4-3-5-20(24-19)22(23)26/h3-13H,1-2H3,(H2,23,26)
InChIKeyGCRNFHVKJBLMMC-UHFFFAOYSA-N
XLogP4.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide (CID 118425006) is 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide is Cc1ccc(-c2cn(C)c3ccc(-c4cccc(C(N)=O)n4)cc23)cc1.
What is the InChIKey of 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide?
The InChIKey is GCRNFHVKJBLMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-14-6-8-15(9-7-14)18-13-25(2)21-11-10-16(12-17(18)21)19-4-3-5-20(24-19)22(23)26/h3-13H,1-2H3,(H2,23,26).
What are the key properties of 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide?
6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-3-(4-methylphenyl)indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118425006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).