3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C104H120FN11O13S3 — CID 158760933

IUPAC3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(=O)NS(=O)(=O)C3CC3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(C)=O)c(=O)[nH]2)cc1.Cc1ccc(NC(=O)c2c(-c3cnc(N(C)C)s3)cc(C3(F)CCCCC3)[nH]c2=O)cc1.Cc1ccc(NC(=O)c2c(-c3cnc(N(C)C)s3)cc(C3(O)CCCCC3)[nH]c2=O)cc1
InChIInChI=1S/C29H34N2O5S.C27H31NO3.C24H27FN4O2S.C24H28N4O3S/c1-5-6-17-36-22-13-9-20(10-14-22)25-18-24(19-7-11-21(12-8-19)29(2,3)4)26(27(32)30-25)28(33)31-37(34,35)23-15-16-23;1-6-7-16-31-22-14-10-20(11-15-22)24-17-23(25(18(2)29)26(30)28-24)19-8-12-21(13-9-19)27(3,4)5;1-15-7-9-16(10-8-15)27-21(30)20-17(18-14-26-23(32-18)29(2)3)13-19(28-22(20)31)24(25)11-5-4-6-12-24;1-15-7-9-16(10-8-15)26-21(29)20-17(18-14-25-23(32-18)28(2)3)13-19(27-22(20)30)24(31)11-5-4-6-12-24/h7-14,18,23H,5-6,15-17H2,1-4H3,(H,30,32)(H,31,33);8-15,17H,6-7,16H2,1-5H3,(H,28,30);7-10,13-14H,4-6,11-12H2,1-3H3,(H,27,30)(H,28,31);7-10,13-14,31H,4-6,11-12H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyIOQUHYJMQIPFTB-UHFFFAOYSA-N
MW1847.37 g/mol
LogP21.33
Rot. Bonds26

About 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 158760933) has the molecular formula C104H120FN11O13S3 and a molecular weight of 1847.37 g/mol. Its IUPAC name is 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID158760933
Molecular FormulaC104H120FN11O13S3
Molecular Weight1847.37 g/mol
Exact Mass1845.82
IUPAC Name3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(=O)NS(=O)(=O)C3CC3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(C)=O)c(=O)[nH]2)cc1.Cc1ccc(NC(=O)c2c(-c3cnc(N(C)C)s3)cc(C3(F)CCCCC3)[nH]c2=O)cc1.Cc1ccc(NC(=O)c2c(-c3cnc(N(C)C)s3)cc(C3(O)CCCCC3)[nH]c2=O)cc1
InChIInChI=1S/C29H34N2O5S.C27H31NO3.C24H27FN4O2S.C24H28N4O3S/c1-5-6-17-36-22-13-9-20(10-14-22)25-18-24(19-7-11-21(12-8-19)29(2,3)4)26(27(32)30-25)28(33)31-37(34,35)23-15-16-23;1-6-7-16-31-22-14-10-20(11-15-22)24-17-23(25(18(2)29)26(30)28-24)19-8-12-21(13-9-19)27(3,4)5;1-15-7-9-16(10-8-15)27-21(30)20-17(18-14-26-23(32-18)29(2)3)13-19(28-22(20)31)24(25)11-5-4-6-12-24;1-15-7-9-16(10-8-15)26-21(29)20-17(18-14-25-23(32-18)28(2)3)13-19(27-22(20)30)24(31)11-5-4-6-12-24/h7-14,18,23H,5-6,15-17H2,1-4H3,(H,30,32)(H,31,33);8-15,17H,6-7,16H2,1-5H3,(H,28,30);7-10,13-14H,4-6,11-12H2,1-3H3,(H,27,30)(H,28,31);7-10,13-14,31H,4-6,11-12H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyIOQUHYJMQIPFTB-UHFFFAOYSA-N
XLogP21.33
TPSA340.90 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001847.37
LogP ≤ 521.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 158760933) is 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(=O)NS(=O)(=O)C3CC3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C(C)=O)c(=O)[nH]2)cc1.Cc1ccc(NC(=O)c2c(-c3cnc(N(C)C)s3)cc(C3(F)CCCCC3)[nH]c2=O)cc1.Cc1ccc(NC(=O)c2c(-c3cnc(N(C)C)s3)cc(C3(O)CCCCC3)[nH]c2=O)cc1.
What is the InChIKey of 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IOQUHYJMQIPFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5S.C27H31NO3.C24H27FN4O2S.C24H28N4O3S/c1-5-6-17-36-22-13-9-20(10-14-22)25-18-24(19-7-11-21(12-8-19)29(2,3)4)26(27(32)30-25)28(33)31-37(34,35)23-15-16-23;1-6-7-16-31-22-14-10-20(11-15-22)24-17-23(25(18(2)29)26(30)28-24)19-8-12-21(13-9-19)27(3,4)5;1-15-7-9-16(10-8-15)27-21(30)20-17(18-14-26-23(32-18)29(2)3)13-19(28-22(20)31)24(25)11-5-4-6-12-24;1-15-7-9-16(10-8-15)26-21(29)20-17(18-14-25-23(32-18)28(2)3)13-19(27-22(20)30)24(31)11-5-4-6-12-24/h7-14,18,23H,5-6,15-17H2,1-4H3,(H,30,32)(H,31,33);8-15,17H,6-7,16H2,1-5H3,(H,28,30);7-10,13-14H,4-6,11-12H2,1-3H3,(H,27,30)(H,28,31);7-10,13-14,31H,4-6,11-12H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 1847.37 g/mol, XLogP of 21.33, 26 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-cyclopropylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-fluorocyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;4-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-hydroxycyclohexyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 158760933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).