2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

C78H97F9N10O14S3 — CID 158183061

IUPAC2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
SMILESCc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N(C)C(C)C)n1.Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OC(C(F)(F)F)C(F)(F)F)n1.Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCC(C)(C)C)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32FN3O5S.C26H31FN4O4S.C25H22F7N3O5S.6H2/c1-17(2)15-35-21-13-19(12-20(28)14-21)23-11-10-22(26(30-23)36-16-27(4,5)6)25(32)31-37(33,34)24-9-7-8-18(3)29-24;1-16(2)15-35-21-13-19(12-20(27)14-21)23-11-10-22(25(29-23)31(6)17(3)4)26(32)30-36(33,34)24-9-7-8-18(5)28-24;1-13(2)12-39-17-10-15(9-16(26)11-17)19-8-7-18(22(34-19)40-23(24(27,28)29)25(30,31)32)21(36)35-41(37,38)20-6-4-5-14(3)33-20;;;;;;/h7-14,17H,15-16H2,1-6H3,(H,31,32);7-14,16-17H,15H2,1-6H3,(H,30,32);4-11,13,23H,12H2,1-3H3,(H,35,36);6*1H
InChIKeyFYVFFLICPKADNO-UHFFFAOYSA-N
MW1665.87 g/mol
LogP16.85
Rot. Bonds27

About 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158183061) has the molecular formula C78H97F9N10O14S3 and a molecular weight of 1665.87 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
PubChem CID158183061
Molecular FormulaC78H97F9N10O14S3
Molecular Weight1665.87 g/mol
Exact Mass1664.62
IUPAC Name2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
SMILESCc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N(C)C(C)C)n1.Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OC(C(F)(F)F)C(F)(F)F)n1.Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCC(C)(C)C)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32FN3O5S.C26H31FN4O4S.C25H22F7N3O5S.6H2/c1-17(2)15-35-21-13-19(12-20(28)14-21)23-11-10-22(26(30-23)36-16-27(4,5)6)25(32)31-37(33,34)24-9-7-8-18(3)29-24;1-16(2)15-35-21-13-19(12-20(27)14-21)23-11-10-22(25(29-23)31(6)17(3)4)26(32)30-36(33,34)24-9-7-8-18(5)28-24;1-13(2)12-39-17-10-15(9-16(26)11-17)19-8-7-18(22(34-19)40-23(24(27,28)29)25(30,31)32)21(36)35-41(37,38)20-6-4-5-14(3)33-20;;;;;;/h7-14,17H,15-16H2,1-6H3,(H,31,32);7-14,16-17H,15H2,1-6H3,(H,30,32);4-11,13,23H,12H2,1-3H3,(H,35,36);6*1H
InChIKeyFYVFFLICPKADNO-UHFFFAOYSA-N
XLogP16.85
TPSA316.45 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.87
LogP ≤ 516.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen with MolForge

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Related Compounds

Preparation of (14S)-8-[3-fluoro-5-(2-methylpropoxy)phenyl]-12,12-dimethyl-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione
CID 139399907
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylazetidin-1-yl)pyridine-3-carboxamide
CID 121250415
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-methyl-5-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250426
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azabicyclo[4.1.0]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250430
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250438
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)pyridine-3-carboxamide
CID 121250445
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 121250468
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxypyridine-3-carboxamide
CID 121250478
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250480
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250484
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250501
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 121250541

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (CID 158183061) is 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N(C)C(C)C)n1.Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OC(C(F)(F)F)C(F)(F)F)n1.Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCC(C)(C)C)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is FYVFFLICPKADNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O5S.C26H31FN4O4S.C25H22F7N3O5S.6H2/c1-17(2)15-35-21-13-19(12-20(28)14-21)23-11-10-22(26(30-23)36-16-27(4,5)6)25(32)31-37(33,34)24-9-7-8-18(3)29-24;1-16(2)15-35-21-13-19(12-20(27)14-21)23-11-10-22(25(29-23)31(6)17(3)4)26(32)30-36(33,34)24-9-7-8-18(5)28-24;1-13(2)12-39-17-10-15(9-16(26)11-17)19-8-7-18(22(34-19)40-23(24(27,28)29)25(30,31)32)21(36)35-41(37,38)20-6-4-5-14(3)33-20;;;;;;/h7-14,17H,15-16H2,1-6H3,(H,31,32);7-14,16-17H,15H2,1-6H3,(H,30,32);4-11,13,23H,12H2,1-3H3,(H,35,36);6*1H.
What are the key properties of 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?
2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 1665.87 g/mol, XLogP of 16.85, 27 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(propan-2-yl)amino]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158183061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).