(3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate

C22H24N6O4 — CID 140921116

About (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate

(3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate (PubChem CID 140921116) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate.

Molecular Properties

• Compound Name: (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate
• PubChem CID: 140921116
• Molecular Formula: C22H24N6O4
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.19
• IUPAC Name: (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate
• SMILES: Cc1c(-c2cc3cc(NC(=O)OC4(C)CCOC4)ncc3c(N)n2)cnc2c1NCCO2
• InChI: InChI=1S/C22H24N6O4/c1-12-14(9-26-20-18(12)24-4-6-31-20)16-7-13-8-17(25-10-15(13)19(23)27-16)28-21(29)32-22(2)3-5-30-11-22/h7-10,24H,3-6,11H2,1-2H3,(H2,23,27)(H,25,28,29)
• InChIKey: ODTBGVZZXQDRKE-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 133.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate?

The IUPAC name of (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate (CID 140921116) is (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate.

What is the SMILES notation for (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate?

The canonical SMILES for (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate is Cc1c(-c2cc3cc(NC(=O)OC4(C)CCOC4)ncc3c(N)n2)cnc2c1NCCO2.

What is the InChIKey of (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate?

The InChIKey is ODTBGVZZXQDRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-12-14(9-26-20-18(12)24-4-6-31-20)16-7-13-8-17(25-10-15(13)19(23)27-16)28-21(29)32-22(2)3-5-30-11-22/h7-10,24H,3-6,11H2,1-2H3,(H2,23,27)(H,25,28,29).

What are the key properties of (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate?

(3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate has a molecular weight of 436.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 140921116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).