N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 158181919) has the molecular formula C79H87F3N10O16S3 and a molecular weight of 1585.81 g/mol. Its IUPAC name is N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID	158181919
Molecular Formula	C79H87F3N10O16S3
Molecular Weight	1585.81 g/mol
Exact Mass	1584.54
IUPAC Name	N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILES	CCOc1cccc(-c2ccc(C(=O)NS(=O)(=O)C3=CC=CCC3=O)c(N3C[C@@H](C)CC3(C)C)n2)c1.COc1cccc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1OC.C[C@@H]1CN(c2nc(-c3ccc(OC(F)(F)F)cc3)ccc2C(=O)NS(=O)(=O)C2=CC=CCC2=O)C(C)(C)C1
InChI	InChI=1S/C27H31N3O5S.C26H26F3N3O5S.C26H30N4O6S/c1-5-35-20-10-8-9-19(15-20)22-14-13-21(25(28-22)30-17-18(2)16-27(30,3)4)26(32)29-36(33,34)24-12-7-6-11-23(24)31;1-16-14-25(2,3)32(15-16)23-19(24(34)31-38(35,36)22-7-5-4-6-21(22)33)12-13-20(30-23)17-8-10-18(11-9-17)37-26(27,28)29;1-17-15-26(2,3)30(16-17)24-18(9-8-14-27-24)25(31)29-37(32,33)22-13-7-12-21(28-22)36-20-11-6-10-19(34-4)23(20)35-5/h6-10,12-15,18H,5,11,16-17H2,1-4H3,(H,29,32);4-5,7-13,16H,6,14-15H2,1-3H3,(H,31,34);6-14,17H,15-16H2,1-5H3,(H,29,31)/t18-;16-;/m00./s1
InChIKey	FYRSUCMRWIQPMB-QCKCWSEZSA-N
XLogP	13.02
TPSA	331.29 Å²
H-Bond Donors	3
H-Bond Acceptors	23
Rotatable Bonds	21
Heavy Atoms	111
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1585.81
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Analyze N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 158181919) is N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CCOc1cccc(-c2ccc(C(=O)NS(=O)(=O)C3=CC=CCC3=O)c(N3C[C@@H](C)CC3(C)C)n2)c1.COc1cccc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1OC.C[C@@H]1CN(c2nc(-c3ccc(OC(F)(F)F)cc3)ccc2C(=O)NS(=O)(=O)C2=CC=CCC2=O)C(C)(C)C1.

What is the InChIKey of N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is FYRSUCMRWIQPMB-QCKCWSEZSA-N. The full InChI is InChI=1S/C27H31N3O5S.C26H26F3N3O5S.C26H30N4O6S/c1-5-35-20-10-8-9-19(15-20)22-14-13-21(25(28-22)30-17-18(2)16-27(30,3)4)26(32)29-36(33,34)24-12-7-6-11-23(24)31;1-16-14-25(2,3)32(15-16)23-19(24(34)31-38(35,36)22-7-5-4-6-21(22)33)12-13-20(30-23)17-8-10-18(11-9-17)37-26(27,28)29;1-17-15-26(2,3)30(16-17)24-18(9-8-14-27-24)25(31)29-37(32,33)22-13-7-12-21(28-22)36-20-11-6-10-19(34-4)23(20)35-5/h6-10,12-15,18H,5,11,16-17H2,1-4H3,(H,29,32);4-5,7-13,16H,6,14-15H2,1-3H3,(H,31,34);6-14,17H,15-16H2,1-5H3,(H,29,31)/t18-;16-;/m00./s1.

What are the key properties of N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

Where does this data come from?

All data for N-[[6-(2,3-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(3-ethoxyphenyl)-N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(6-oxocyclohexa-1,3-dien-1-yl)sulfonyl-6-[4-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158181919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).