6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine

C22H26N4 — CID 46892821

IUPAC6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1
InChIInChI=1S/C22H26N4/c1-15-10-20(26-21(23)11-15)9-8-18-5-3-4-17(13-18)6-7-19-12-16(2)25-22(24)14-19/h3-5,10-14H,6-9H2,1-2H3,(H2,23,26)(H2,24,25)
InChIKeyJVYPSLPLMFVFFX-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.83
Rot. Bonds6

About 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine

6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 46892821) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID46892821
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1
InChIInChI=1S/C22H26N4/c1-15-10-20(26-21(23)11-15)9-8-18-5-3-4-17(13-18)6-7-19-12-16(2)25-22(24)14-19/h3-5,10-14H,6-9H2,1-2H3,(H2,23,26)(H2,24,25)
InChIKeyJVYPSLPLMFVFFX-UHFFFAOYSA-N
XLogP3.83
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine (CID 46892821) is 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1.
What is the InChIKey of 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is JVYPSLPLMFVFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-15-10-20(26-21(23)11-15)9-8-18-5-3-4-17(13-18)6-7-19-12-16(2)25-22(24)14-19/h3-5,10-14H,6-9H2,1-2H3,(H2,23,26)(H2,24,25).
What are the key properties of 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 346.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 46892821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).