6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine

C25H27N7 — CID 58230686

IUPAC6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CCNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1
InChIInChI=1S/C25H27N7/c1-26-22-10-6-8-20(30-22)14-18-27-23-11-7-9-21(31-23)15-19-32(24-12-2-4-16-28-24)25-13-3-5-17-29-25/h2-13,16-17H,14-15,18-19H2,1H3,(H,26,30)(H,27,31)
InChIKeyAISNIEYTPBFMGF-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.34
Rot. Bonds10

About 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine

6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine (PubChem CID 58230686) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine
PubChem CID58230686
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC Name6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CCNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1
InChIInChI=1S/C25H27N7/c1-26-22-10-6-8-20(30-22)14-18-27-23-11-7-9-21(31-23)15-19-32(24-12-2-4-16-28-24)25-13-3-5-17-29-25/h2-13,16-17H,14-15,18-19H2,1H3,(H,26,30)(H,27,31)
InChIKeyAISNIEYTPBFMGF-UHFFFAOYSA-N
XLogP4.34
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine (CID 58230686) is 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine is CNc1cccc(CCNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1.
What is the InChIKey of 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine?
The InChIKey is AISNIEYTPBFMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7/c1-26-22-10-6-8-20(30-22)14-18-27-23-11-7-9-21(31-23)15-19-32(24-12-2-4-16-28-24)25-13-3-5-17-29-25/h2-13,16-17H,14-15,18-19H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine?
6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine has a molecular weight of 425.54 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 58230686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).