6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine

C21H25N5 — CID 46892825

IUPAC6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1
InChIInChI=1S/C21H25N5/c1-14-10-19(26-20(22)11-14)9-8-18-5-3-4-17(25-18)7-6-16-12-15(2)24-21(23)13-16/h3-5,10-13H,6-9H2,1-2H3,(H2,22,26)(H2,23,24)
InChIKeyZMKGFXFDYMNDSP-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.22
Rot. Bonds6

About 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine

6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 46892825) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine
PubChem CID46892825
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1
InChIInChI=1S/C21H25N5/c1-14-10-19(26-20(22)11-14)9-8-18-5-3-4-17(25-18)7-6-16-12-15(2)24-21(23)13-16/h3-5,10-13H,6-9H2,1-2H3,(H2,22,26)(H2,23,24)
InChIKeyZMKGFXFDYMNDSP-UHFFFAOYSA-N
XLogP3.22
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine (CID 46892825) is 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1.
What is the InChIKey of 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is ZMKGFXFDYMNDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-14-10-19(26-20(22)11-14)9-8-18-5-3-4-17(25-18)7-6-16-12-15(2)24-21(23)13-16/h3-5,10-13H,6-9H2,1-2H3,(H2,22,26)(H2,23,24).
What are the key properties of 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 347.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 46892825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).