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

C26H28N4 — CID 46892696

IUPAC6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2ccc3cc(CCc4cc(C)cc(N)n4)ccc3c2)c1
InChIInChI=1S/C26H28N4/c1-17-11-23(29-25(27)13-17)9-5-19-3-7-22-16-20(4-8-21(22)15-19)6-10-24-12-18(2)14-26(28)30-24/h3-4,7-8,11-16H,5-6,9-10H2,1-2H3,(H2,27,29)(H2,28,30)
InChIKeyGMLDOJCIZDOHGB-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.98
Rot. Bonds6

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

6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine (PubChem CID 46892696) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine
PubChem CID46892696
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2ccc3cc(CCc4cc(C)cc(N)n4)ccc3c2)c1
InChIInChI=1S/C26H28N4/c1-17-11-23(29-25(27)13-17)9-5-19-3-7-22-16-20(4-8-21(22)15-19)6-10-24-12-18(2)14-26(28)30-24/h3-4,7-8,11-16H,5-6,9-10H2,1-2H3,(H2,27,29)(H2,28,30)
InChIKeyGMLDOJCIZDOHGB-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-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine (CID 46892696) is 6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2ccc3cc(CCc4cc(C)cc(N)n4)ccc3c2)c1.
What is the InChIKey of 6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is GMLDOJCIZDOHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-17-11-23(29-25(27)13-17)9-5-19-3-7-22-16-20(4-8-21(22)15-19)6-10-24-12-18(2)14-26(28)30-24/h3-4,7-8,11-16H,5-6,9-10H2,1-2H3,(H2,27,29)(H2,28,30).
What are the key properties of 6-[2-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine?
6-[2-[6-[2-(6-amino-4-methyl-2-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-[6-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 46892696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).