2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide

C22H23N5O4 — CID 67081774

About 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide

2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 67081774) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 67081774
• Molecular Formula: C22H23N5O4
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.18
• IUPAC Name: 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CNC(=O)c1c(N)n(Cc2ccccn2)c2nc(C#CC(C)(O)COC)ccc2c1=O
• InChI: InChI=1S/C22H23N5O4/c1-22(30,13-31-3)10-9-14-7-8-16-18(28)17(21(29)24-2)19(23)27(20(16)26-14)12-15-6-4-5-11-25-15/h4-8,11,30H,12-13,23H2,1-3H3,(H,24,29)
• InChIKey: GCONJMLDRLRSHD-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 132.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide (CID 67081774) is 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide is CNC(=O)c1c(N)n(Cc2ccccn2)c2nc(C#CC(C)(O)COC)ccc2c1=O.

What is the InChIKey of 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is GCONJMLDRLRSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-22(30,13-31-3)10-9-14-7-8-16-18(28)17(21(29)24-2)19(23)27(20(16)26-14)12-15-6-4-5-11-25-15/h4-8,11,30H,12-13,23H2,1-3H3,(H,24,29).

What are the key properties of 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?

2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 67081774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).