1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine

C23H23N — CID 57259792

IUPAC1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1ccc(-c2nc(C)c3c(c2-c2ccc(C)cc2)CCC3)cc1
InChIInChI=1S/C23H23N/c1-15-7-11-18(12-8-15)22-21-6-4-5-20(21)17(3)24-23(22)19-13-9-16(2)10-14-19/h7-14H,4-6H2,1-3H3
InChIKeyCDRHDQSIRPZMBM-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.83
Rot. Bonds2

About 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine

1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 57259792) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID57259792
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1ccc(-c2nc(C)c3c(c2-c2ccc(C)cc2)CCC3)cc1
InChIInChI=1S/C23H23N/c1-15-7-11-18(12-8-15)22-21-6-4-5-20(21)17(3)24-23(22)19-13-9-16(2)10-14-19/h7-14H,4-6H2,1-3H3
InChIKeyCDRHDQSIRPZMBM-UHFFFAOYSA-N
XLogP5.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 57259792) is 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine is Cc1ccc(-c2nc(C)c3c(c2-c2ccc(C)cc2)CCC3)cc1.
What is the InChIKey of 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is CDRHDQSIRPZMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-15-7-11-18(12-8-15)22-21-6-4-5-20(21)17(3)24-23(22)19-13-9-16(2)10-14-19/h7-14H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 313.44 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 57259792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).