N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide

C19H20N4O2S — CID 67101176

IUPACN-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide
SMILESCC(C)Cn1cc(-c2ccc(C#N)nc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H20N4O2S/c1-13(2)11-23-12-18(14-4-5-16(9-20)21-10-14)17-7-6-15(8-19(17)23)22-26(3,24)25/h4-8,10,12-13,22H,11H2,1-3H3
InChIKeyMMKNMQKMXRBZHT-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.60
Rot. Bonds5

About N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide

N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide (PubChem CID 67101176) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide
PubChem CID67101176
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide
SMILESCC(C)Cn1cc(-c2ccc(C#N)nc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H20N4O2S/c1-13(2)11-23-12-18(14-4-5-16(9-20)21-10-14)17-7-6-15(8-19(17)23)22-26(3,24)25/h4-8,10,12-13,22H,11H2,1-3H3
InChIKeyMMKNMQKMXRBZHT-UHFFFAOYSA-N
XLogP3.60
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide (CID 67101176) is N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide is CC(C)Cn1cc(-c2ccc(C#N)nc2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide?
The InChIKey is MMKNMQKMXRBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13(2)11-23-12-18(14-4-5-16(9-20)21-10-14)17-7-6-15(8-19(17)23)22-26(3,24)25/h4-8,10,12-13,22H,11H2,1-3H3.
What are the key properties of N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide?
N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide is sourced from PubChem (CID 67101176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).