3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine

C175H197ClN18O9S — CID 161221017

IUPAC3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCC(=O)c1cccc(-c2cccnc2C(C)C)c1.CC(C)c1ncccc1-c1ccc(C(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1cccc(-c2nn[nH]n2)c1.CC(C)c1ncccc1-c1cccc(C(=O)N(C)C)c1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CCC(=O)c1cccc(-c2cccnc2C(C)C)c1.CNC(=O)c1ccc(-c2cccnc2C(C)C)cc1.COc1cc(C)c(-c2cccnc2C(C)C)c(C)c1.COc1ccc(-c2cccnc2C(C)C)c(C)c1.Cc1ccccc1-c1cccnc1C(C)C
InChIInChI=1S/2C17H20N2O.C17H21NO.C17H19NO.C16H18N2O.C16H19NO.C16H17NO.C15H15N5.C15H17NO2S.C15H17N.C14H14ClN/c1-12(2)16-15(9-6-10-18-16)13-7-5-8-14(11-13)17(20)19(3)4;1-12(2)16-15(6-5-11-18-16)13-7-9-14(10-8-13)17(20)19(3)4;1-11(2)17-15(7-6-8-18-17)16-12(3)9-14(19-5)10-13(16)4;1-4-16(19)14-8-5-7-13(11-14)15-9-6-10-18-17(15)12(2)3;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(6-5-9-17-16)14-8-7-13(18-4)10-12(14)3;1-11(2)16-15(8-5-9-17-16)14-7-4-6-13(10-14)12(3)18;1-10(2)14-13(7-4-8-16-14)11-5-3-6-12(9-11)15-17-19-20-18-15;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(9-6-10-16-15)13-8-5-4-7-12(13)3;1-10(2)14-13(4-3-9-16-14)11-5-7-12(15)8-6-11/h2*5-12H,1-4H3;6-11H,1-5H3;5-12H,4H2,1-3H3;4-11H,1-3H3,(H,17,19);5-11H,1-4H3;4-11H,1-3H3;3-10H,1-2H3,(H,17,18,19,20);4-11H,1-3H3;4-11H,1-3H3;3-10H,1-2H3
InChIKeyUXMWOFYZGJBMQM-UHFFFAOYSA-N
MW2764.14 g/mol
LogP42.64
Rot. Bonds32

About 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine

3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 161221017) has the molecular formula C175H197ClN18O9S and a molecular weight of 2764.14 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID161221017
Molecular FormulaC175H197ClN18O9S
Molecular Weight2764.14 g/mol
Exact Mass2761.49
IUPAC Name3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCC(=O)c1cccc(-c2cccnc2C(C)C)c1.CC(C)c1ncccc1-c1ccc(C(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1cccc(-c2nn[nH]n2)c1.CC(C)c1ncccc1-c1cccc(C(=O)N(C)C)c1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CCC(=O)c1cccc(-c2cccnc2C(C)C)c1.CNC(=O)c1ccc(-c2cccnc2C(C)C)cc1.COc1cc(C)c(-c2cccnc2C(C)C)c(C)c1.COc1ccc(-c2cccnc2C(C)C)c(C)c1.Cc1ccccc1-c1cccnc1C(C)C
InChIInChI=1S/2C17H20N2O.C17H21NO.C17H19NO.C16H18N2O.C16H19NO.C16H17NO.C15H15N5.C15H17NO2S.C15H17N.C14H14ClN/c1-12(2)16-15(9-6-10-18-16)13-7-5-8-14(11-13)17(20)19(3)4;1-12(2)16-15(6-5-11-18-16)13-7-9-14(10-8-13)17(20)19(3)4;1-11(2)17-15(7-6-8-18-17)16-12(3)9-14(19-5)10-13(16)4;1-4-16(19)14-8-5-7-13(11-14)15-9-6-10-18-17(15)12(2)3;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(6-5-9-17-16)14-8-7-13(18-4)10-12(14)3;1-11(2)16-15(8-5-9-17-16)14-7-4-6-13(10-14)12(3)18;1-10(2)14-13(7-4-8-16-14)11-5-3-6-12(9-11)15-17-19-20-18-15;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(9-6-10-16-15)13-8-5-4-7-12(13)3;1-10(2)14-13(4-3-9-16-14)11-5-7-12(15)8-6-11/h2*5-12H,1-4H3;6-11H,1-5H3;5-12H,4H2,1-3H3;4-11H,1-3H3,(H,17,19);5-11H,1-4H3;4-11H,1-3H3;3-10H,1-2H3,(H,17,18,19,20);4-11H,1-3H3;4-11H,1-3H3;3-10H,1-2H3
InChIKeyUXMWOFYZGJBMQM-UHFFFAOYSA-N
XLogP42.64
TPSA352.71 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002764.14
LogP ≤ 542.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine (CID 161221017) is 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine is CC(=O)c1cccc(-c2cccnc2C(C)C)c1.CC(C)c1ncccc1-c1ccc(C(=O)N(C)C)cc1.CC(C)c1ncccc1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1cccc(-c2nn[nH]n2)c1.CC(C)c1ncccc1-c1cccc(C(=O)N(C)C)c1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CCC(=O)c1cccc(-c2cccnc2C(C)C)c1.CNC(=O)c1ccc(-c2cccnc2C(C)C)cc1.COc1cc(C)c(-c2cccnc2C(C)C)c(C)c1.COc1ccc(-c2cccnc2C(C)C)c(C)c1.Cc1ccccc1-c1cccnc1C(C)C.
What is the InChIKey of 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is UXMWOFYZGJBMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20N2O.C17H21NO.C17H19NO.C16H18N2O.C16H19NO.C16H17NO.C15H15N5.C15H17NO2S.C15H17N.C14H14ClN/c1-12(2)16-15(9-6-10-18-16)13-7-5-8-14(11-13)17(20)19(3)4;1-12(2)16-15(6-5-11-18-16)13-7-9-14(10-8-13)17(20)19(3)4;1-11(2)17-15(7-6-8-18-17)16-12(3)9-14(19-5)10-13(16)4;1-4-16(19)14-8-5-7-13(11-14)15-9-6-10-18-17(15)12(2)3;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(6-5-9-17-16)14-8-7-13(18-4)10-12(14)3;1-11(2)16-15(8-5-9-17-16)14-7-4-6-13(10-14)12(3)18;1-10(2)14-13(7-4-8-16-14)11-5-3-6-12(9-11)15-17-19-20-18-15;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(9-6-10-16-15)13-8-5-4-7-12(13)3;1-10(2)14-13(4-3-9-16-14)11-5-7-12(15)8-6-11/h2*5-12H,1-4H3;6-11H,1-5H3;5-12H,4H2,1-3H3;4-11H,1-3H3,(H,17,19);5-11H,1-4H3;4-11H,1-3H3;3-10H,1-2H3,(H,17,18,19,20);4-11H,1-3H3;4-11H,1-3H3;3-10H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine?
3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 2764.14 g/mol, XLogP of 42.64, 32 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-propan-2-ylpyridine;N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one;2-propan-2-yl-3-[3-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 161221017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).