5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide

C22H24N4O2 — CID 46830095

IUPAC5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2cnc(-c3cccc(C)c3C)cn2)C(C)C)cn1
InChIInChI=1S/C22H24N4O2/c1-14(2)26(17-9-10-21(28-5)25-11-17)22(27)20-13-23-19(12-24-20)18-8-6-7-15(3)16(18)4/h6-14H,1-5H3
InChIKeyOEBYQAZSQJUSMJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.22
Rot. Bonds5

About 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide

5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 46830095) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID46830095
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2cnc(-c3cccc(C)c3C)cn2)C(C)C)cn1
InChIInChI=1S/C22H24N4O2/c1-14(2)26(17-9-10-21(28-5)25-11-17)22(27)20-13-23-19(12-24-20)18-8-6-7-15(3)16(18)4/h6-14H,1-5H3
InChIKeyOEBYQAZSQJUSMJ-UHFFFAOYSA-N
XLogP4.22
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide (CID 46830095) is 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide is COc1ccc(N(C(=O)c2cnc(-c3cccc(C)c3C)cn2)C(C)C)cn1.
What is the InChIKey of 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is OEBYQAZSQJUSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)26(17-9-10-21(28-5)25-11-17)22(27)20-13-23-19(12-24-20)18-8-6-7-15(3)16(18)4/h6-14H,1-5H3.
What are the key properties of 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide?
5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 46830095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).