N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one

C112H124FN9O9S2 — CID 157406573

IUPACN,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
SMILESCC(=O)c1cc(-c2cccnc2C(C)C)ccc1F.CC(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(C(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(C)(=O)=O)cc1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CCC(=O)c1cccc(-c2cccnc2C(C)C)c1.CNC(=O)c1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C17H20N2O.C17H19NO.C16H16FNO.C16H18N2O.C16H17NO.2C15H17NO2S/c1-12(2)16-15(6-5-11-18-16)13-7-9-14(10-8-13)17(20)19(3)4;1-4-16(19)14-8-5-7-13(11-14)15-9-6-10-18-17(15)12(2)3;1-10(2)16-13(5-4-8-18-16)12-6-7-15(17)14(9-12)11(3)19;1-11(2)15-14(5-4-10-18-15)12-6-8-13(9-7-12)16(19)17-3;1-11(2)16-15(5-4-10-17-16)14-8-6-13(7-9-14)12(3)18;1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18;1-11(2)15-14(5-4-10-16-15)12-6-8-13(9-7-12)19(3,17)18/h5-12H,1-4H3;5-12H,4H2,1-3H3;4-10H,1-3H3;4-11H,1-3H3,(H,17,19);4-11H,1-3H3;2*4-11H,1-3H3
InChIKeyBNUAZJDWPURMLB-UHFFFAOYSA-N
MW1823.41 g/mol
LogP26.11
Rot. Bonds22

About N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one

N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one (PubChem CID 157406573) has the molecular formula C112H124FN9O9S2 and a molecular weight of 1823.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
PubChem CID157406573
Molecular FormulaC112H124FN9O9S2
Molecular Weight1823.41 g/mol
Exact Mass1821.89
IUPAC NameN,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
SMILESCC(=O)c1cc(-c2cccnc2C(C)C)ccc1F.CC(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(C(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(C)(=O)=O)cc1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CCC(=O)c1cccc(-c2cccnc2C(C)C)c1.CNC(=O)c1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C17H20N2O.C17H19NO.C16H16FNO.C16H18N2O.C16H17NO.2C15H17NO2S/c1-12(2)16-15(6-5-11-18-16)13-7-9-14(10-8-13)17(20)19(3)4;1-4-16(19)14-8-5-7-13(11-14)15-9-6-10-18-17(15)12(2)3;1-10(2)16-13(5-4-8-18-16)12-6-7-15(17)14(9-12)11(3)19;1-11(2)15-14(5-4-10-18-15)12-6-8-13(9-7-12)16(19)17-3;1-11(2)16-15(5-4-10-17-16)14-8-6-13(7-9-14)12(3)18;1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18;1-11(2)15-14(5-4-10-16-15)12-6-8-13(9-7-12)19(3,17)18/h5-12H,1-4H3;5-12H,4H2,1-3H3;4-10H,1-3H3;4-11H,1-3H3,(H,17,19);4-11H,1-3H3;2*4-11H,1-3H3
InChIKeyBNUAZJDWPURMLB-UHFFFAOYSA-N
XLogP26.11
TPSA259.13 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms133
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.41
LogP ≤ 526.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one?
The IUPAC name of N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one (CID 157406573) is N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one.
What is the SMILES notation for N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one?
The canonical SMILES for N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one is CC(=O)c1cc(-c2cccnc2C(C)C)ccc1F.CC(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(C(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(C)(=O)=O)cc1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CCC(=O)c1cccc(-c2cccnc2C(C)C)c1.CNC(=O)c1ccc(-c2cccnc2C(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one?
The InChIKey is BNUAZJDWPURMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C17H19NO.C16H16FNO.C16H18N2O.C16H17NO.2C15H17NO2S/c1-12(2)16-15(6-5-11-18-16)13-7-9-14(10-8-13)17(20)19(3)4;1-4-16(19)14-8-5-7-13(11-14)15-9-6-10-18-17(15)12(2)3;1-10(2)16-13(5-4-8-18-16)12-6-7-15(17)14(9-12)11(3)19;1-11(2)15-14(5-4-10-18-15)12-6-8-13(9-7-12)16(19)17-3;1-11(2)16-15(5-4-10-17-16)14-8-6-13(7-9-14)12(3)18;1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18;1-11(2)15-14(5-4-10-16-15)12-6-8-13(9-7-12)19(3,17)18/h5-12H,1-4H3;5-12H,4H2,1-3H3;4-10H,1-3H3;4-11H,1-3H3,(H,17,19);4-11H,1-3H3;2*4-11H,1-3H3.
What are the key properties of N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one?
N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one has a molecular weight of 1823.41 g/mol, XLogP of 26.11, 22 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one is sourced from PubChem (CID 157406573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).