6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine

C24H25N7 — CID 127050257

IUPAC6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine
SMILESCNc1cccc(CNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1
InChIInChI=1S/C24H25N7/c1-25-21-10-7-9-20(30-21)18-28-22-11-6-8-19(29-22)14-17-31(23-12-2-4-15-26-23)24-13-3-5-16-27-24/h2-13,15-16H,14,17-18H2,1H3,(H,25,30)(H,28,29)
InChIKeyBBAIYYDBVPXQLV-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.30
Rot. Bonds9

About 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine

6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine (PubChem CID 127050257) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine
PubChem CID127050257
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine
SMILESCNc1cccc(CNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1
InChIInChI=1S/C24H25N7/c1-25-21-10-7-9-20(30-21)18-28-22-11-6-8-19(29-22)14-17-31(23-12-2-4-15-26-23)24-13-3-5-16-27-24/h2-13,15-16H,14,17-18H2,1H3,(H,25,30)(H,28,29)
InChIKeyBBAIYYDBVPXQLV-UHFFFAOYSA-N
XLogP4.30
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine (CID 127050257) is 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine is CNc1cccc(CNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1.
What is the InChIKey of 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is BBAIYYDBVPXQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-25-21-10-7-9-20(30-21)18-28-22-11-6-8-19(29-22)14-17-31(23-12-2-4-15-26-23)24-13-3-5-16-27-24/h2-13,15-16H,14,17-18H2,1H3,(H,25,30)(H,28,29).
What are the key properties of 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine?
6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 411.51 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 127050257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).