6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine

C26H28N4 — CID 46892698

IUPAC6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2ccc3ccc(CCc4cc(C)nc(N)c4)cc3c2)c1
InChIInChI=1S/C26H28N4/c1-17-11-24(30-25(27)12-17)10-7-20-6-9-22-8-5-19(14-23(22)15-20)3-4-21-13-18(2)29-26(28)16-21/h5-6,8-9,11-16H,3-4,7,10H2,1-2H3,(H2,27,30)(H2,28,29)
InChIKeyXXMPLULFWRVARL-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.98
Rot. Bonds6

About 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine

6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine (PubChem CID 46892698) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine
PubChem CID46892698
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2ccc3ccc(CCc4cc(C)nc(N)c4)cc3c2)c1
InChIInChI=1S/C26H28N4/c1-17-11-24(30-25(27)12-17)10-7-20-6-9-22-8-5-19(14-23(22)15-20)3-4-21-13-18(2)29-26(28)16-21/h5-6,8-9,11-16H,3-4,7,10H2,1-2H3,(H2,27,30)(H2,28,29)
InChIKeyXXMPLULFWRVARL-UHFFFAOYSA-N
XLogP4.98
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine (CID 46892698) is 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2ccc3ccc(CCc4cc(C)nc(N)c4)cc3c2)c1.
What is the InChIKey of 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is XXMPLULFWRVARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-17-11-24(30-25(27)12-17)10-7-20-6-9-22-8-5-19(14-23(22)15-20)3-4-21-13-18(2)29-26(28)16-21/h5-6,8-9,11-16H,3-4,7,10H2,1-2H3,(H2,27,30)(H2,28,29).
What are the key properties of 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine?
6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 396.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[7-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 46892698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).