4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol

C22H24N2OS — CID 137290738

IUPAC4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol
SMILESCSc1ccc(-c2cc(NC(C)C)nc(-c3cc(C)ccc3O)c2)cc1
InChIInChI=1S/C22H24N2OS/c1-14(2)23-22-13-17(16-6-8-18(26-4)9-7-16)12-20(24-22)19-11-15(3)5-10-21(19)25/h5-14,25H,1-4H3,(H,23,24)
InChIKeyIQEAYEXWUASQDR-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.97
Rot. Bonds5

About 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol

4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol (PubChem CID 137290738) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol
PubChem CID137290738
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol
SMILESCSc1ccc(-c2cc(NC(C)C)nc(-c3cc(C)ccc3O)c2)cc1
InChIInChI=1S/C22H24N2OS/c1-14(2)23-22-13-17(16-6-8-18(26-4)9-7-16)12-20(24-22)19-11-15(3)5-10-21(19)25/h5-14,25H,1-4H3,(H,23,24)
InChIKeyIQEAYEXWUASQDR-UHFFFAOYSA-N
XLogP5.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol?
The IUPAC name of 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol (CID 137290738) is 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol.
What is the SMILES notation for 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol?
The canonical SMILES for 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol is CSc1ccc(-c2cc(NC(C)C)nc(-c3cc(C)ccc3O)c2)cc1.
What is the InChIKey of 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol?
The InChIKey is IQEAYEXWUASQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-14(2)23-22-13-17(16-6-8-18(26-4)9-7-16)12-20(24-22)19-11-15(3)5-10-21(19)25/h5-14,25H,1-4H3,(H,23,24).
What are the key properties of 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol?
4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol has a molecular weight of 364.51 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol is sourced from PubChem (CID 137290738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).