3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide

C23H22N6O2 — CID 118240095

About 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide

3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide (PubChem CID 118240095) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide
• PubChem CID: 118240095
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.18
• IUPAC Name: 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide
• SMILES: CN1CCCc2nc(-c3onc4c(C(N)=O)cccc34)nc(NCc3ccccc3)c21
• InChI: InChI=1S/C23H22N6O2/c1-29-12-6-11-17-19(29)22(25-13-14-7-3-2-4-8-14)27-23(26-17)20-15-9-5-10-16(21(24)30)18(15)28-31-20/h2-5,7-10H,6,11-13H2,1H3,(H2,24,30)(H,25,26,27)
• InChIKey: OAMAQXWTZOLZPL-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 110.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide?

The IUPAC name of 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide (CID 118240095) is 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide.

What is the SMILES notation for 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide?

The canonical SMILES for 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide is CN1CCCc2nc(-c3onc4c(C(N)=O)cccc34)nc(NCc3ccccc3)c21.

What is the InChIKey of 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide?

The InChIKey is OAMAQXWTZOLZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-29-12-6-11-17-19(29)22(25-13-14-7-3-2-4-8-14)27-23(26-17)20-15-9-5-10-16(21(24)30)18(15)28-31-20/h2-5,7-10H,6,11-13H2,1H3,(H2,24,30)(H,25,26,27).

What are the key properties of 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide?

3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(benzylamino)-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2,1-benzoxazole-7-carboxamide is sourced from PubChem (CID 118240095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).