5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide

C22H28N4O2 — CID 71526313

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide
SMILESCC(C)(CCc1ccncc1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C22H28N4O2/c1-22(2,10-7-15-8-11-23-12-9-15)26-20(27)18-13-24-19(17-5-6-17)21(25-18)28-14-16-3-4-16/h8-9,11-13,16-17H,3-7,10,14H2,1-2H3,(H,26,27)
InChIKeyXXXJHQYHFZCCNJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.68
Rot. Bonds9

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide (PubChem CID 71526313) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide
PubChem CID71526313
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide
SMILESCC(C)(CCc1ccncc1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C22H28N4O2/c1-22(2,10-7-15-8-11-23-12-9-15)26-20(27)18-13-24-19(17-5-6-17)21(25-18)28-14-16-3-4-16/h8-9,11-13,16-17H,3-7,10,14H2,1-2H3,(H,26,27)
InChIKeyXXXJHQYHFZCCNJ-UHFFFAOYSA-N
XLogP3.68
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide (CID 71526313) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide is CC(C)(CCc1ccncc1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is XXXJHQYHFZCCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,10-7-15-8-11-23-12-9-15)26-20(27)18-13-24-19(17-5-6-17)21(25-18)28-14-16-3-4-16/h8-9,11-13,16-17H,3-7,10,14H2,1-2H3,(H,26,27).
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2-methyl-4-pyridin-4-ylbutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 71526313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).