N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide

C24H22N6O4 — CID 78104892

About N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide

N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide (PubChem CID 78104892) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide
• PubChem CID: 78104892
• Molecular Formula: C24H22N6O4
• Molecular Weight: 458.48 g/mol
• Exact Mass: 458.17
• IUPAC Name: N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide
• SMILES: COc1cnc(C(=O)Nc2ccc3c(c2)C2(CCOC(N)=N2)c2cc(C4CC4)ncc2O3)cn1
• InChI: InChI=1S/C24H22N6O4/c1-32-21-12-27-18(10-28-21)22(31)29-14-4-5-19-15(8-14)24(6-7-33-23(25)30-24)16-9-17(13-2-3-13)26-11-20(16)34-19/h4-5,8-13H,2-3,6-7H2,1H3,(H2,25,30)(H,29,31)
• InChIKey: HAZFUSNJFVXKNU-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 133.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.48
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide?

The IUPAC name of N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide (CID 78104892) is N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide.

What is the SMILES notation for N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide?

The canonical SMILES for N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide is COc1cnc(C(=O)Nc2ccc3c(c2)C2(CCOC(N)=N2)c2cc(C4CC4)ncc2O3)cn1.

What is the InChIKey of N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide?

The InChIKey is HAZFUSNJFVXKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c1-32-21-12-27-18(10-28-21)22(31)29-14-4-5-19-15(8-14)24(6-7-33-23(25)30-24)16-9-17(13-2-3-13)26-11-20(16)34-19/h4-5,8-13H,2-3,6-7H2,1H3,(H2,25,30)(H,29,31).

What are the key properties of N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide?

N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 78104892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).