2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile

C29H20N4O — CID 171396109

IUPAC2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)cc1
InChIInChI=1S/C29H20N4O/c1-34-19-12-10-18(11-13-19)22-14-28(24-16-31-26-8-4-2-6-20(24)26)33-29(23(22)15-30)25-17-32-27-9-5-3-7-21(25)27/h2-14,16-17,31-32H,1H3
InChIKeyPRNHKZUUJPPEGU-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.93
Rot. Bonds4

About 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile

2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 171396109) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID171396109
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)cc1
InChIInChI=1S/C29H20N4O/c1-34-19-12-10-18(11-13-19)22-14-28(24-16-31-26-8-4-2-6-20(24)26)33-29(23(22)15-30)25-17-32-27-9-5-3-7-21(25)27/h2-14,16-17,31-32H,1H3
InChIKeyPRNHKZUUJPPEGU-UHFFFAOYSA-N
XLogP6.93
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 171396109) is 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)cc1.
What is the InChIKey of 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is PRNHKZUUJPPEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c1-34-19-12-10-18(11-13-19)22-14-28(24-16-31-26-8-4-2-6-20(24)26)33-29(23(22)15-30)25-17-32-27-9-5-3-7-21(25)27/h2-14,16-17,31-32H,1H3.
What are the key properties of 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 440.51 g/mol, XLogP of 6.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171396109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).