N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide

C22H26N6O3S — CID 142447748

About N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide (PubChem CID 142447748) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide
• PubChem CID: 142447748
• Molecular Formula: C22H26N6O3S
• Molecular Weight: 454.56 g/mol
• Exact Mass: 454.18
• IUPAC Name: N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide
• SMILES: CS(=O)(=O)NC1CC2CC2C1.Cc1ccncc1-c1cc2cc(NC=O)ncc2c(N)n1
• InChI: InChI=1S/C15H13N5O.C7H13NO2S/c1-9-2-3-17-6-11(9)13-4-10-5-14(19-8-21)18-7-12(10)15(16)20-13;1-11(9,10)8-7-3-5-2-6(5)4-7/h2-8H,1H3,(H2,16,20)(H,18,19,21);5-8H,2-4H2,1H3
• InChIKey: BEYQQSFLYPWLFQ-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 139.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.56
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide?

The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide (CID 142447748) is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide.

What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide?

The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide is CS(=O)(=O)NC1CC2CC2C1.Cc1ccncc1-c1cc2cc(NC=O)ncc2c(N)n1.

What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide?

The InChIKey is BEYQQSFLYPWLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O.C7H13NO2S/c1-9-2-3-17-6-11(9)13-4-10-5-14(19-8-21)18-7-12(10)15(16)20-13;1-11(9,10)8-7-3-5-2-6(5)4-7/h2-8H,1H3,(H2,16,20)(H,18,19,21);5-8H,2-4H2,1H3.

What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide?

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide has a molecular weight of 454.56 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide is sourced from PubChem (CID 142447748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).