4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol

C18H17N3O — CID 126673067

IUPAC4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3ccncc3)c2)cc(C)c1O
InChIInChI=1S/C18H17N3O/c1-11-7-14(8-12(2)17(11)22)15-9-16(18(19)21-10-15)13-3-5-20-6-4-13/h3-10,22H,1-2H3,(H2,19,21)
InChIKeyDVFCWNZEGDZQGN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.72
Rot. Bonds2

About 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol

4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol (PubChem CID 126673067) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol
PubChem CID126673067
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3ccncc3)c2)cc(C)c1O
InChIInChI=1S/C18H17N3O/c1-11-7-14(8-12(2)17(11)22)15-9-16(18(19)21-10-15)13-3-5-20-6-4-13/h3-10,22H,1-2H3,(H2,19,21)
InChIKeyDVFCWNZEGDZQGN-UHFFFAOYSA-N
XLogP3.72
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol?
The IUPAC name of 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol (CID 126673067) is 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol is Cc1cc(-c2cnc(N)c(-c3ccncc3)c2)cc(C)c1O.
What is the InChIKey of 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol?
The InChIKey is DVFCWNZEGDZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-7-14(8-12(2)17(11)22)15-9-16(18(19)21-10-15)13-3-5-20-6-4-13/h3-10,22H,1-2H3,(H2,19,21).
What are the key properties of 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol?
4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol has a molecular weight of 291.35 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2,6-dimethylphenol is sourced from PubChem (CID 126673067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).