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

C22H26N4 — CID 46892700

IUPAC6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2ccc(CCc3cc(C)nc(N)c3)cc2)c1
InChIInChI=1S/C22H26N4/c1-15-11-20(26-21(23)12-15)10-9-18-5-3-17(4-6-18)7-8-19-13-16(2)25-22(24)14-19/h3-6,11-14H,7-10H2,1-2H3,(H2,23,26)(H2,24,25)
InChIKeyIKWCDRYKIHJFFS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.83
Rot. Bonds6

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

6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 46892700) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID46892700
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2ccc(CCc3cc(C)nc(N)c3)cc2)c1
InChIInChI=1S/C22H26N4/c1-15-11-20(26-21(23)12-15)10-9-18-5-3-17(4-6-18)7-8-19-13-16(2)25-22(24)14-19/h3-6,11-14H,7-10H2,1-2H3,(H2,23,26)(H2,24,25)
InChIKeyIKWCDRYKIHJFFS-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-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine (CID 46892700) is 6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2ccc(CCc3cc(C)nc(N)c3)cc2)c1.
What is the InChIKey of 6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is IKWCDRYKIHJFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-15-11-20(26-21(23)12-15)10-9-18-5-3-17(4-6-18)7-8-19-13-16(2)25-22(24)14-19/h3-6,11-14H,7-10H2,1-2H3,(H2,23,26)(H2,24,25).
What are the key properties of 6-[2-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[4-[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-[4-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 46892700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).