1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide

C22H27N3O3S — CID 166666396

IUPAC1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
SMILESCOCC(C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc21
InChIInChI=1S/C22H27N3O3S/c1-13-10-19(29-5)17(21(26)24-13)11-23-22(27)20-15(3)25(14(2)12-28-4)18-9-7-6-8-16(18)20/h6-10,14H,11-12H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyXOVWBTAJNRXINU-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.81
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide

1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide (PubChem CID 166666396) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
PubChem CID166666396
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
SMILESCOCC(C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc21
InChIInChI=1S/C22H27N3O3S/c1-13-10-19(29-5)17(21(26)24-13)11-23-22(27)20-15(3)25(14(2)12-28-4)18-9-7-6-8-16(18)20/h6-10,14H,11-12H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyXOVWBTAJNRXINU-UHFFFAOYSA-N
XLogP3.81
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-2-methylindole-3-carboxamide
CID 122186509
1-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 166666466
1-[(1R)-1-(1-cyanopiperidin-4-yl)ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 163286254
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
1-[1-(3-acetyl-3-azabicyclo[3.1.1]heptan-6-yl)ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 156540335
1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 166666458
1-[(1R)-1-[3-[(3,3-difluorocyclobutanecarbonyl)amino]cyclobutyl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 156561884
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide
CID 71661182
2-methyl-N-[3-[(1R)-1-[2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]indol-1-yl]ethyl]cyclobutyl]-1,3-thiazole-4-carboxamide
CID 156561872
1-[1-[5-(3,3-dimethylazetidin-1-yl)-1,3-dioxan-2-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 166666528
1-[(1R)-1-[4-[(3-hydroxy-1-methylcyclobutyl)amino]cyclohexyl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 156561910
2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-yloxyimino)cyclohexyl]ethyl]indole-3-carboxamide
CID 156561785

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide (CID 166666396) is 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide is COCC(C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc21.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide?
The InChIKey is XOVWBTAJNRXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-13-10-19(29-5)17(21(26)24-13)11-23-22(27)20-15(3)25(14(2)12-28-4)18-9-7-6-8-16(18)20/h6-10,14H,11-12H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide?
1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide is sourced from PubChem (CID 166666396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).