1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one

C28H29N5O4 — CID 142612084

About 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one

1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one (PubChem CID 142612084) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
• PubChem CID: 142612084
• Molecular Formula: C28H29N5O4
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.22
• IUPAC Name: 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
• SMILES: CC(C)C(=O)N1CCOc2ncc(Nc3cc4c(cn3)-c3ccc(N5CCCC5=O)cc3OC4C)cc21
• InChI: InChI=1S/C28H29N5O4/c1-16(2)28(35)33-9-10-36-27-23(33)11-18(14-30-27)31-25-13-21-17(3)37-24-12-19(32-8-4-5-26(32)34)6-7-20(24)22(21)15-29-25/h6-7,11-17H,4-5,8-10H2,1-3H3,(H,29,31)
• InChIKey: QSSRLKWHMKJQJU-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?

The IUPAC name of 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one (CID 142612084) is 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one is CC(C)C(=O)N1CCOc2ncc(Nc3cc4c(cn3)-c3ccc(N5CCCC5=O)cc3OC4C)cc21.

What is the InChIKey of 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?

The InChIKey is QSSRLKWHMKJQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-16(2)28(35)33-9-10-36-27-23(33)11-18(14-30-27)31-25-13-21-17(3)37-24-12-19(32-8-4-5-26(32)34)6-7-20(24)22(21)15-29-25/h6-7,11-17H,4-5,8-10H2,1-3H3,(H,29,31).

What are the key properties of 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?

1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one has a molecular weight of 499.57 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one is sourced from PubChem (CID 142612084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).