5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile

C27H17N5 — CID 24864348

IUPAC5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3)c2)c1
InChIInChI=1S/C27H17N5/c28-14-18-3-1-4-19(11-18)20-5-2-6-21(12-20)25-17-30-16-23(15-29)27(25)32-24-7-8-26-22(13-24)9-10-31-26/h1-13,16-17,31H,(H,30,32)
InChIKeyXUBAXBSXVXNBSK-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.38
Rot. Bonds4

About 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile

5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile (PubChem CID 24864348) has the molecular formula C27H17N5 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
PubChem CID24864348
Molecular FormulaC27H17N5
Molecular Weight411.47 g/mol
Exact Mass411.15
IUPAC Name5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3)c2)c1
InChIInChI=1S/C27H17N5/c28-14-18-3-1-4-19(11-18)20-5-2-6-21(12-20)25-17-30-16-23(15-29)27(25)32-24-7-8-26-22(13-24)9-10-31-26/h1-13,16-17,31H,(H,30,32)
InChIKeyXUBAXBSXVXNBSK-UHFFFAOYSA-N
XLogP6.38
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile (CID 24864348) is 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile is N#Cc1cccc(-c2cccc(-c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3)c2)c1.
What is the InChIKey of 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The InChIKey is XUBAXBSXVXNBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5/c28-14-18-3-1-4-19(11-18)20-5-2-6-21(12-20)25-17-30-16-23(15-29)27(25)32-24-7-8-26-22(13-24)9-10-31-26/h1-13,16-17,31H,(H,30,32).
What are the key properties of 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile has a molecular weight of 411.47 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 24864348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).