N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide

C28H28N6O3S — CID 177380890

IUPACN-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(N)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
InChIInChI=1S/C28H28N6O3S/c1-4-38(36,37)32-23-16-19(20-15-22(29)27(35)33(3)18-20)17-24-21(23)11-14-34(24)28(2,25-9-5-7-12-30-25)26-10-6-8-13-31-26/h5-18,32H,4,29H2,1-3H3
InChIKeyJHKSWNQMNVDRNQ-UHFFFAOYSA-N
MW528.64 g/mol
LogP3.95
Rot. Bonds7

About N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide

N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide (PubChem CID 177380890) has the molecular formula C28H28N6O3S and a molecular weight of 528.64 g/mol. Its IUPAC name is N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide
PubChem CID177380890
Molecular FormulaC28H28N6O3S
Molecular Weight528.64 g/mol
Exact Mass528.19
IUPAC NameN-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(N)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
InChIInChI=1S/C28H28N6O3S/c1-4-38(36,37)32-23-16-19(20-15-22(29)27(35)33(3)18-20)17-24-21(23)11-14-34(24)28(2,25-9-5-7-12-30-25)26-10-6-8-13-31-26/h5-18,32H,4,29H2,1-3H3
InChIKeyJHKSWNQMNVDRNQ-UHFFFAOYSA-N
XLogP3.95
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide?
The IUPAC name of N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide (CID 177380890) is N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cc(N)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1.
What is the InChIKey of N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide?
The InChIKey is JHKSWNQMNVDRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3S/c1-4-38(36,37)32-23-16-19(20-15-22(29)27(35)33(3)18-20)17-24-21(23)11-14-34(24)28(2,25-9-5-7-12-30-25)26-10-6-8-13-31-26/h5-18,32H,4,29H2,1-3H3.
What are the key properties of N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide?
N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide has a molecular weight of 528.64 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-amino-1-methyl-6-oxo-3-pyridinyl)-1-(1,1-dipyridin-2-ylethyl)indol-4-yl]ethanesulfonamide is sourced from PubChem (CID 177380890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).