4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile

C27H21N5 — CID 71481732

IUPAC4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESCN(C)c1ccc(-c2cc(-c3cccnc3)nc(-c3c[nH]c4ccccc34)c2C#N)cc1
InChIInChI=1S/C27H21N5/c1-32(2)20-11-9-18(10-12-20)22-14-26(19-6-5-13-29-16-19)31-27(23(22)15-28)24-17-30-25-8-4-3-7-21(24)25/h3-14,16-17,30H,1-2H3
InChIKeyBZOSKVRGTGXBJE-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.90
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile

4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 71481732) has the molecular formula C27H21N5 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID71481732
Molecular FormulaC27H21N5
Molecular Weight415.50 g/mol
Exact Mass415.18
IUPAC Name4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESCN(C)c1ccc(-c2cc(-c3cccnc3)nc(-c3c[nH]c4ccccc34)c2C#N)cc1
InChIInChI=1S/C27H21N5/c1-32(2)20-11-9-18(10-12-20)22-14-26(19-6-5-13-29-16-19)31-27(23(22)15-28)24-17-30-25-8-4-3-7-21(24)25/h3-14,16-17,30H,1-2H3
InChIKeyBZOSKVRGTGXBJE-UHFFFAOYSA-N
XLogP5.90
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile (CID 71481732) is 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile is CN(C)c1ccc(-c2cc(-c3cccnc3)nc(-c3c[nH]c4ccccc34)c2C#N)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is BZOSKVRGTGXBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5/c1-32(2)20-11-9-18(10-12-20)22-14-26(19-6-5-13-29-16-19)31-27(23(22)15-28)24-17-30-25-8-4-3-7-21(24)25/h3-14,16-17,30H,1-2H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile?
4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 71481732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).