2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C23H20N6O2 — CID 155568609

IUPAC2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(CO)c1
InChIInChI=1S/C23H20N6O2/c1-15-8-16(11-28-23(15)17-4-5-25-19(10-17)14-30)9-22(31)29-21-3-2-18(12-27-21)20-13-24-6-7-26-20/h2-8,10-13,30H,9,14H2,1H3,(H,27,29,31)
InChIKeyYIPOQZJLJYLPFB-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.98
Rot. Bonds6

About 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 155568609) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID155568609
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(CO)c1
InChIInChI=1S/C23H20N6O2/c1-15-8-16(11-28-23(15)17-4-5-25-19(10-17)14-30)9-22(31)29-21-3-2-18(12-27-21)20-13-24-6-7-26-20/h2-8,10-13,30H,9,14H2,1H3,(H,27,29,31)
InChIKeyYIPOQZJLJYLPFB-UHFFFAOYSA-N
XLogP2.98
TPSA113.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 155568609) is 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(CO)c1.
What is the InChIKey of 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is YIPOQZJLJYLPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-15-8-16(11-28-23(15)17-4-5-25-19(10-17)14-30)9-22(31)29-21-3-2-18(12-27-21)20-13-24-6-7-26-20/h2-8,10-13,30H,9,14H2,1H3,(H,27,29,31).
What are the key properties of 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 412.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 155568609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).