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

C20H24N6 — CID 58230640

IUPACN-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine
SMILESCNc1cccc(CCNc2cccc(CCNc3ccccn3)n2)n1
InChIInChI=1S/C20H24N6/c1-21-18-9-4-6-16(25-18)12-15-24-20-10-5-7-17(26-20)11-14-23-19-8-2-3-13-22-19/h2-10,13H,11-12,14-15H2,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyKPUNMEOXAXBTQX-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.22
Rot. Bonds9

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

N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine (PubChem CID 58230640) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine
PubChem CID58230640
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine
SMILESCNc1cccc(CCNc2cccc(CCNc3ccccn3)n2)n1
InChIInChI=1S/C20H24N6/c1-21-18-9-4-6-16(25-18)12-15-24-20-10-5-7-17(26-20)11-14-23-19-8-2-3-13-22-19/h2-10,13H,11-12,14-15H2,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyKPUNMEOXAXBTQX-UHFFFAOYSA-N
XLogP3.22
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine (CID 58230640) is N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine is CNc1cccc(CCNc2cccc(CCNc3ccccn3)n2)n1.
What is the InChIKey of N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine?
The InChIKey is KPUNMEOXAXBTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-21-18-9-4-6-16(25-18)12-15-24-20-10-5-7-17(26-20)11-14-23-19-8-2-3-13-22-19/h2-10,13H,11-12,14-15H2,1H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine?
N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine is sourced from PubChem (CID 58230640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).