2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile

C25H20N4 — CID 67008197

IUPAC2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile
SMILESCC(c1c(C#N)cccc1-c1ccccc1)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C25H20N4/c1-19(29(22-11-6-14-27-17-22)23-12-7-15-28-18-23)25-21(16-26)10-5-13-24(25)20-8-3-2-4-9-20/h2-15,17-19H,1H3
InChIKeyLAGDVSLBUWRGLE-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.91
Rot. Bonds5

About 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile

2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile (PubChem CID 67008197) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile.

Molecular Properties

Compound Name2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile
PubChem CID67008197
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile
SMILESCC(c1c(C#N)cccc1-c1ccccc1)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C25H20N4/c1-19(29(22-11-6-14-27-17-22)23-12-7-15-28-18-23)25-21(16-26)10-5-13-24(25)20-8-3-2-4-9-20/h2-15,17-19H,1H3
InChIKeyLAGDVSLBUWRGLE-UHFFFAOYSA-N
XLogP5.91
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile?
The IUPAC name of 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile (CID 67008197) is 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile.
What is the SMILES notation for 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile?
The canonical SMILES for 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile is CC(c1c(C#N)cccc1-c1ccccc1)N(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile?
The InChIKey is LAGDVSLBUWRGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c1-19(29(22-11-6-14-27-17-22)23-12-7-15-28-18-23)25-21(16-26)10-5-13-24(25)20-8-3-2-4-9-20/h2-15,17-19H,1H3.
What are the key properties of 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile?
2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile has a molecular weight of 376.46 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dipyridin-3-ylamino)ethyl]-3-phenylbenzonitrile is sourced from PubChem (CID 67008197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).