5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide

C24H20N6O2 — CID 162530106

IUPAC5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(C#Cc3c(N)ncc4nc(C)c(C)nc34)c2)c1
InChIInChI=1S/C24H20N6O2/c1-14-15(2)29-22-20(23(25)27-13-21(22)28-14)8-7-16-9-17(12-26-11-16)24(31)30-18-5-4-6-19(10-18)32-3/h4-6,9-13H,1-3H3,(H2,25,27)(H,30,31)
InChIKeyGRWXTUUGHKAHMG-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.28
Rot. Bonds3

About 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide

5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 162530106) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID162530106
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(C#Cc3c(N)ncc4nc(C)c(C)nc34)c2)c1
InChIInChI=1S/C24H20N6O2/c1-14-15(2)29-22-20(23(25)27-13-21(22)28-14)8-7-16-9-17(12-26-11-16)24(31)30-18-5-4-6-19(10-18)32-3/h4-6,9-13H,1-3H3,(H2,25,27)(H,30,31)
InChIKeyGRWXTUUGHKAHMG-UHFFFAOYSA-N
XLogP3.28
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
5-N-(2-fluorophenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108683
5-N-(2-methoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108873
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737
5-N-(3-methoxyphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105232
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626
5-N-(2-ethoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108895
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917

Frequently Asked Questions

What is the IUPAC name of 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 162530106) is 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(C#Cc3c(N)ncc4nc(C)c(C)nc34)c2)c1.
What is the InChIKey of 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is GRWXTUUGHKAHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-14-15(2)29-22-20(23(25)27-13-21(22)28-14)8-7-16-9-17(12-26-11-16)24(31)30-18-5-4-6-19(10-18)32-3/h4-6,9-13H,1-3H3,(H2,25,27)(H,30,31).
What are the key properties of 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide?
5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 162530106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).