N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C23H20N6O2 — CID 58447790

IUPACN-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ncc(CC(=O)/N=c3\ccc(-c4cnccn4)cn3O)cc2C)ccn1
InChIInChI=1S/C23H20N6O2/c1-15-9-17(12-27-23(15)18-5-6-25-16(2)10-18)11-22(30)28-21-4-3-19(14-29(21)31)20-13-24-7-8-26-20/h3-10,12-14,31H,11H2,1-2H3/b28-21+
InChIKeyHMAYMDJFUJKHJI-SGWCAAJKSA-N
MW412.45 g/mol
LogP2.93
Rot. Bonds4

About N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 58447790) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID58447790
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ncc(CC(=O)/N=c3\ccc(-c4cnccn4)cn3O)cc2C)ccn1
InChIInChI=1S/C23H20N6O2/c1-15-9-17(12-27-23(15)18-5-6-25-16(2)10-18)11-22(30)28-21-4-3-19(14-29(21)31)20-13-24-7-8-26-20/h3-10,12-14,31H,11H2,1-2H3/b28-21+
InChIKeyHMAYMDJFUJKHJI-SGWCAAJKSA-N
XLogP2.93
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 58447790) is N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is Cc1cc(-c2ncc(CC(=O)/N=c3\ccc(-c4cnccn4)cn3O)cc2C)ccn1.
What is the InChIKey of N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is HMAYMDJFUJKHJI-SGWCAAJKSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-15-9-17(12-27-23(15)18-5-6-25-16(2)10-18)11-22(30)28-21-4-3-19(14-29(21)31)20-13-24-7-8-26-20/h3-10,12-14,31H,11H2,1-2H3/b28-21+.
What are the key properties of N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-5-pyrazin-2-yl-2-pyridinylidene)-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 58447790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).