6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one

C25H23N3O3 — CID 46971644

IUPAC6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(C(=O)N3CCc4[nH]c5c(C)cccc5c4C3)c(=O)[nH]2)cc1
InChIInChI=1S/C25H23N3O3/c1-15-4-3-5-18-20-14-28(13-12-22(20)26-23(15)18)25(30)19-10-11-21(27-24(19)29)16-6-8-17(31-2)9-7-16/h3-11,26H,12-14H2,1-2H3,(H,27,29)
InChIKeyNRSVQFSXXGXQEP-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.04
Rot. Bonds3

About 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one

6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one (PubChem CID 46971644) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one
PubChem CID46971644
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(C(=O)N3CCc4[nH]c5c(C)cccc5c4C3)c(=O)[nH]2)cc1
InChIInChI=1S/C25H23N3O3/c1-15-4-3-5-18-20-14-28(13-12-22(20)26-23(15)18)25(30)19-10-11-21(27-24(19)29)16-6-8-17(31-2)9-7-16/h3-11,26H,12-14H2,1-2H3,(H,27,29)
InChIKeyNRSVQFSXXGXQEP-UHFFFAOYSA-N
XLogP4.04
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one (CID 46971644) is 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one is COc1ccc(-c2ccc(C(=O)N3CCc4[nH]c5c(C)cccc5c4C3)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one?
The InChIKey is NRSVQFSXXGXQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-15-4-3-5-18-20-14-28(13-12-22(20)26-23(15)18)25(30)19-10-11-21(27-24(19)29)16-6-8-17(31-2)9-7-16/h3-11,26H,12-14H2,1-2H3,(H,27,29).
What are the key properties of 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one?
6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one has a molecular weight of 413.48 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 46971644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).