2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole

C112H126F2N12O6S3 — CID 161182676

IUPAC2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole
SMILESCC(=O)c1cc(-c2ccnnc2C(C)C)ccc1F.CC(C)c1ncccc1-c1ccc(NC(=O)CC2CC2)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc2scnc2c1.CC(C)c1ncccc1-c1cccc(F)c1.CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.Cc1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C19H22N2O.C18H24N2O2S.C16H20N2O2S.C15H15FN2O.C15H14N2S.C15H17N.C14H14FN/c1-13(2)19-17(4-3-11-20-19)15-7-9-16(10-8-15)21-18(22)12-14-5-6-14;1-5-20(6-2)23(21,22)16-11-9-15(10-12-16)17-8-7-13-19-18(17)14(3)4;1-12(2)16-15(6-5-11-17-16)13-7-9-14(10-8-13)21(19,20)18(3)4;1-9(2)15-12(6-7-17-18-15)11-4-5-14(16)13(8-11)10(3)19;1-10(2)15-12(4-3-7-16-15)11-5-6-14-13(8-11)17-9-18-14;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-13(7-4-8-16-14)11-5-3-6-12(15)9-11/h3-4,7-11,13-14H,5-6,12H2,1-2H3,(H,21,22);7-14H,5-6H2,1-4H3;5-12H,1-4H3;4-9H,1-3H3;3-10H,1-2H3;4-11H,1-3H3;3-10H,1-2H3
InChIKeyUSRFWSTZQKFKKG-UHFFFAOYSA-N
MW1870.51 g/mol
LogP27.92
Rot. Bonds24

About 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole

2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole (PubChem CID 161182676) has the molecular formula C112H126F2N12O6S3 and a molecular weight of 1870.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole
PubChem CID161182676
Molecular FormulaC112H126F2N12O6S3
Molecular Weight1870.51 g/mol
Exact Mass1868.91
IUPAC Name2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole
SMILESCC(=O)c1cc(-c2ccnnc2C(C)C)ccc1F.CC(C)c1ncccc1-c1ccc(NC(=O)CC2CC2)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc2scnc2c1.CC(C)c1ncccc1-c1cccc(F)c1.CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.Cc1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C19H22N2O.C18H24N2O2S.C16H20N2O2S.C15H15FN2O.C15H14N2S.C15H17N.C14H14FN/c1-13(2)19-17(4-3-11-20-19)15-7-9-16(10-8-15)21-18(22)12-14-5-6-14;1-5-20(6-2)23(21,22)16-11-9-15(10-12-16)17-8-7-13-19-18(17)14(3)4;1-12(2)16-15(6-5-11-17-16)13-7-9-14(10-8-13)21(19,20)18(3)4;1-9(2)15-12(6-7-17-18-15)11-4-5-14(16)13(8-11)10(3)19;1-10(2)15-12(4-3-7-16-15)11-5-6-14-13(8-11)17-9-18-14;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-13(7-4-8-16-14)11-5-3-6-12(15)9-11/h3-4,7-11,13-14H,5-6,12H2,1-2H3,(H,21,22);7-14H,5-6H2,1-4H3;5-12H,1-4H3;4-9H,1-3H3;3-10H,1-2H3;4-11H,1-3H3;3-10H,1-2H3
InChIKeyUSRFWSTZQKFKKG-UHFFFAOYSA-N
XLogP27.92
TPSA236.94 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.51
LogP ≤ 527.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole with MolForge

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Launch Full Analysis

Related Compounds

6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one
CID 157916980
2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(3-propan-2-ylpyridazin-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole;4-(2-propan-2-yl-3-pyridinyl)isoquinoline;3-(2-propan-2-yl-3-pyridinyl)quinoline;7-(4-propan-2-ylpyrimidin-5-yl)-3H-indole;7-(4-propan-2-ylpyrimidin-5-yl)quinoline
CID 158492697
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one
CID 158735345
2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(3-propan-2-yl-4-pyridinyl)-1,3-benzothiazole;4-(2-propan-2-yl-3-pyridinyl)isoquinoline;3-(2-propan-2-yl-3-pyridinyl)quinoline;7-(4-propan-2-ylpyrimidin-5-yl)quinoline
CID 161772718

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole?
The IUPAC name of 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole (CID 161182676) is 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole.
What is the SMILES notation for 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole?
The canonical SMILES for 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole is CC(=O)c1cc(-c2ccnnc2C(C)C)ccc1F.CC(C)c1ncccc1-c1ccc(NC(=O)CC2CC2)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc2scnc2c1.CC(C)c1ncccc1-c1cccc(F)c1.CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.Cc1ccc(-c2cccnc2C(C)C)cc1.
What is the InChIKey of 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole?
The InChIKey is USRFWSTZQKFKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.C18H24N2O2S.C16H20N2O2S.C15H15FN2O.C15H14N2S.C15H17N.C14H14FN/c1-13(2)19-17(4-3-11-20-19)15-7-9-16(10-8-15)21-18(22)12-14-5-6-14;1-5-20(6-2)23(21,22)16-11-9-15(10-12-16)17-8-7-13-19-18(17)14(3)4;1-12(2)16-15(6-5-11-17-16)13-7-9-14(10-8-13)21(19,20)18(3)4;1-9(2)15-12(6-7-17-18-15)11-4-5-14(16)13(8-11)10(3)19;1-10(2)15-12(4-3-7-16-15)11-5-6-14-13(8-11)17-9-18-14;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-13(7-4-8-16-14)11-5-3-6-12(15)9-11/h3-4,7-11,13-14H,5-6,12H2,1-2H3,(H,21,22);7-14H,5-6H2,1-4H3;5-12H,1-4H3;4-9H,1-3H3;3-10H,1-2H3;4-11H,1-3H3;3-10H,1-2H3.
What are the key properties of 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole?
2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole has a molecular weight of 1870.51 g/mol, XLogP of 27.92, 24 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(3-fluorophenyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole is sourced from PubChem (CID 161182676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).