4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one

C19H22N2O2 — CID 122157543

IUPAC4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one
SMILESCCC1(CC)CN(C(=O)c2ccn(C)c(=O)c2)c2ccccc21
InChIInChI=1S/C19H22N2O2/c1-4-19(5-2)13-21(16-9-7-6-8-15(16)19)18(23)14-10-11-20(3)17(22)12-14/h6-12H,4-5,13H2,1-3H3
InChIKeyAPUOWHOIMCGCFE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.10
Rot. Bonds3

About 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one

4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one (PubChem CID 122157543) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one
PubChem CID122157543
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one
SMILESCCC1(CC)CN(C(=O)c2ccn(C)c(=O)c2)c2ccccc21
InChIInChI=1S/C19H22N2O2/c1-4-19(5-2)13-21(16-9-7-6-8-15(16)19)18(23)14-10-11-20(3)17(22)12-14/h6-12H,4-5,13H2,1-3H3
InChIKeyAPUOWHOIMCGCFE-UHFFFAOYSA-N
XLogP3.10
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one (CID 122157543) is 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one is CCC1(CC)CN(C(=O)c2ccn(C)c(=O)c2)c2ccccc21.
What is the InChIKey of 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one?
The InChIKey is APUOWHOIMCGCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-19(5-2)13-21(16-9-7-6-8-15(16)19)18(23)14-10-11-20(3)17(22)12-14/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one?
4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethyl-2H-indole-1-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 122157543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).