1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol

C19H23N3O — CID 175861260

IUPAC1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol
SMILES[2H]C1C(C(C)O)=CC=CN1c1cc(N2CC=CC=C2C)c(C)cn1
InChIInChI=1S/C19H23N3O/c1-14-12-20-19(21-9-6-8-17(13-21)16(3)23)11-18(14)22-10-5-4-7-15(22)2/h4-9,11-12,16,23H,10,13H2,1-3H3/i13D
InChIKeyXVMFMLWXWJLKNQ-YSOHJTORSA-N
MW310.42 g/mol
LogP3.31
Rot. Bonds3

About 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol

1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol (PubChem CID 175861260) has the molecular formula C19H23N3O and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol
PubChem CID175861260
Molecular FormulaC19H23N3O
Molecular Weight310.42 g/mol
Exact Mass310.19
IUPAC Name1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol
SMILES[2H]C1C(C(C)O)=CC=CN1c1cc(N2CC=CC=C2C)c(C)cn1
InChIInChI=1S/C19H23N3O/c1-14-12-20-19(21-9-6-8-17(13-21)16(3)23)11-18(14)22-10-5-4-7-15(22)2/h4-9,11-12,16,23H,10,13H2,1-3H3/i13D
InChIKeyXVMFMLWXWJLKNQ-YSOHJTORSA-N
XLogP3.31
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol?
The IUPAC name of 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol (CID 175861260) is 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol.
What is the SMILES notation for 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol?
The canonical SMILES for 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol is [2H]C1C(C(C)O)=CC=CN1c1cc(N2CC=CC=C2C)c(C)cn1.
What is the InChIKey of 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol?
The InChIKey is XVMFMLWXWJLKNQ-YSOHJTORSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-12-20-19(21-9-6-8-17(13-21)16(3)23)11-18(14)22-10-5-4-7-15(22)2/h4-9,11-12,16,23H,10,13H2,1-3H3/i13D.
What are the key properties of 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol?
1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol has a molecular weight of 310.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-deuterio-1-[5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-pyridinyl]-2H-pyridin-3-yl]ethanol is sourced from PubChem (CID 175861260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).