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

C30H30N6O4S — CID 177380891

IUPACN-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(NC(C)=O)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
InChIInChI=1S/C30H30N6O4S/c1-5-41(39,40)34-24-16-21(22-17-25(33-20(2)37)29(38)35(4)19-22)18-26-23(24)12-15-36(26)30(3,27-10-6-8-13-31-27)28-11-7-9-14-32-28/h6-19,34H,5H2,1-4H3,(H,33,37)
InChIKeyFHXPYIBOQQULGO-UHFFFAOYSA-N
MW570.68 g/mol
LogP4.33
Rot. Bonds8

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

N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide (PubChem CID 177380891) has the molecular formula C30H30N6O4S and a molecular weight of 570.68 g/mol. Its IUPAC name is N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
PubChem CID177380891
Molecular FormulaC30H30N6O4S
Molecular Weight570.68 g/mol
Exact Mass570.20
IUPAC NameN-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(NC(C)=O)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
InChIInChI=1S/C30H30N6O4S/c1-5-41(39,40)34-24-16-21(22-17-25(33-20(2)37)29(38)35(4)19-22)18-26-23(24)12-15-36(26)30(3,27-10-6-8-13-31-27)28-11-7-9-14-32-28/h6-19,34H,5H2,1-4H3,(H,33,37)
InChIKeyFHXPYIBOQQULGO-UHFFFAOYSA-N
XLogP4.33
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.68
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide (CID 177380891) is N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide is CCS(=O)(=O)Nc1cc(-c2cc(NC(C)=O)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1.
What is the InChIKey of N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
The InChIKey is FHXPYIBOQQULGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O4S/c1-5-41(39,40)34-24-16-21(22-17-25(33-20(2)37)29(38)35(4)19-22)18-26-23(24)12-15-36(26)30(3,27-10-6-8-13-31-27)28-11-7-9-14-32-28/h6-19,34H,5H2,1-4H3,(H,33,37).
What are the key properties of N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide has a molecular weight of 570.68 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1,1-dipyridin-2-ylethyl)-4-(ethylsulfonylamino)indol-6-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 177380891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).