2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol

C20H21N3O — CID 102283028

IUPAC2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol
SMILESCC(C)(C)C(O)(c1ccccn1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C20H21N3O/c1-19(2,3)20(24,17-11-5-7-14-22-17)18-12-8-10-16(23-18)15-9-4-6-13-21-15/h4-14,24H,1-3H3
InChIKeyVCEGDFFOWPFTCA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.82
Rot. Bonds3

About 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol

2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol (PubChem CID 102283028) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol
PubChem CID102283028
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol
SMILESCC(C)(C)C(O)(c1ccccn1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C20H21N3O/c1-19(2,3)20(24,17-11-5-7-14-22-17)18-12-8-10-16(23-18)15-9-4-6-13-21-15/h4-14,24H,1-3H3
InChIKeyVCEGDFFOWPFTCA-UHFFFAOYSA-N
XLogP3.82
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol (CID 102283028) is 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol is CC(C)(C)C(O)(c1ccccn1)c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol?
The InChIKey is VCEGDFFOWPFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-19(2,3)20(24,17-11-5-7-14-22-17)18-12-8-10-16(23-18)15-9-4-6-13-21-15/h4-14,24H,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol?
2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol has a molecular weight of 319.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 102283028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).