2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine

C56H66N4O — CID 164957587

IUPAC2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine
SMILESCOc1cc(-c2cc(C)c3c(c2C(C)C)CCC3)ccn1.Cc1cc(-c2ccnc(C#N)c2)c(C(C)C)c(C(C)C)c1.Cc1cc(-c2ccncc2)c(C(C)C)c2c1CCC2
InChIInChI=1S/C19H22N2.C19H23NO.C18H21N/c1-12(2)17-8-14(5)9-18(19(17)13(3)4)15-6-7-21-16(10-15)11-20;1-12(2)19-16-7-5-6-15(16)13(3)10-17(19)14-8-9-20-18(11-14)21-4;1-12(2)18-16-6-4-5-15(16)13(3)11-17(18)14-7-9-19-10-8-14/h6-10,12-13H,1-5H3;8-12H,5-7H2,1-4H3;7-12H,4-6H2,1-3H3
InChIKeyBJQMRVSYUPFGNG-UHFFFAOYSA-N
MW811.17 g/mol
LogP14.52
Rot. Bonds8

About 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine

2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine (PubChem CID 164957587) has the molecular formula C56H66N4O and a molecular weight of 811.17 g/mol. Its IUPAC name is 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine
PubChem CID164957587
Molecular FormulaC56H66N4O
Molecular Weight811.17 g/mol
Exact Mass810.52
IUPAC Name2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine
SMILESCOc1cc(-c2cc(C)c3c(c2C(C)C)CCC3)ccn1.Cc1cc(-c2ccnc(C#N)c2)c(C(C)C)c(C(C)C)c1.Cc1cc(-c2ccncc2)c(C(C)C)c2c1CCC2
InChIInChI=1S/C19H22N2.C19H23NO.C18H21N/c1-12(2)17-8-14(5)9-18(19(17)13(3)4)15-6-7-21-16(10-15)11-20;1-12(2)19-16-7-5-6-15(16)13(3)10-17(19)14-8-9-20-18(11-14)21-4;1-12(2)18-16-6-4-5-15(16)13(3)11-17(18)14-7-9-19-10-8-14/h6-10,12-13H,1-5H3;8-12H,5-7H2,1-4H3;7-12H,4-6H2,1-3H3
InChIKeyBJQMRVSYUPFGNG-UHFFFAOYSA-N
XLogP14.52
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.17
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine?
The IUPAC name of 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine (CID 164957587) is 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine.
What is the SMILES notation for 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine?
The canonical SMILES for 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine is COc1cc(-c2cc(C)c3c(c2C(C)C)CCC3)ccn1.Cc1cc(-c2ccnc(C#N)c2)c(C(C)C)c(C(C)C)c1.Cc1cc(-c2ccncc2)c(C(C)C)c2c1CCC2.
What is the InChIKey of 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine?
The InChIKey is BJQMRVSYUPFGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.C19H23NO.C18H21N/c1-12(2)17-8-14(5)9-18(19(17)13(3)4)15-6-7-21-16(10-15)11-20;1-12(2)19-16-7-5-6-15(16)13(3)10-17(19)14-8-9-20-18(11-14)21-4;1-12(2)18-16-6-4-5-15(16)13(3)11-17(18)14-7-9-19-10-8-14/h6-10,12-13H,1-5H3;8-12H,5-7H2,1-4H3;7-12H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine?
2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine has a molecular weight of 811.17 g/mol, XLogP of 14.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine;4-[5-methyl-2,3-di(propan-2-yl)phenyl]pyridine-2-carbonitrile;4-(7-methyl-4-propan-2-yl-2,3-dihydro-1H-inden-5-yl)pyridine is sourced from PubChem (CID 164957587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).