N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide

C25H28N6O3 — CID 10004435

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide (PubChem CID 10004435) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide
• PubChem CID: 10004435
• Molecular Formula: C25H28N6O3
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.22
• IUPAC Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide
• SMILES: Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)N2C
• InChI: InChI=1S/C25H28N6O3/c1-15-11-19-23(29-24(33)20(30(19)3)12-17-7-5-4-6-8-17)25(34)31(15)14-22(32)27-13-18-9-10-21(26)28-16(18)2/h4-11,20H,12-14H2,1-3H3,(H2,26,28)(H,27,32)(H,29,33)/t20-/m0/s1
• InChIKey: QGRHFNFVDOCBJG-FQEVSTJZSA-N
• XLogP: 1.76
• TPSA: 122.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide?

The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide (CID 10004435) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide.

What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide?

The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)N2C.

What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide?

The InChIKey is QGRHFNFVDOCBJG-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-15-11-19-23(29-24(33)20(30(19)3)12-17-7-5-4-6-8-17)25(34)31(15)14-22(32)27-13-18-9-10-21(26)28-16(18)2/h4-11,20H,12-14H2,1-3H3,(H2,26,28)(H,27,32)(H,29,33)/t20-/m0/s1.

What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide?

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide has a molecular weight of 460.54 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide is sourced from PubChem (CID 10004435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).