N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C24H22N6O3 — CID 167182443

About N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 167182443) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• PubChem CID: 167182443
• Molecular Formula: C24H22N6O3
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.18
• IUPAC Name: N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• SMILES: [H]/N=C/c1ncc(-c2ccc(NC(=O)c3c(-c4ccccc4)noc3C)c(OC)n2)cc1NC
• InChI: InChI=1S/C24H22N6O3/c1-14-21(22(30-33-14)15-7-5-4-6-8-15)23(31)28-18-10-9-17(29-24(18)32-3)16-11-19(26-2)20(12-25)27-13-16/h4-13,25-26H,1-3H3,(H,28,31)/b25-12+
• InChIKey: HFYPQWUWNAMYSR-BRJLIKDPSA-N
• XLogP: 4.41
• TPSA: 126.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 167182443) is N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is [H]/N=C/c1ncc(-c2ccc(NC(=O)c3c(-c4ccccc4)noc3C)c(OC)n2)cc1NC.

What is the InChIKey of N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The InChIKey is HFYPQWUWNAMYSR-BRJLIKDPSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-14-21(22(30-33-14)15-7-5-4-6-8-15)23(31)28-18-10-9-17(29-24(18)32-3)16-11-19(26-2)20(12-25)27-13-16/h4-13,25-26H,1-3H3,(H,28,31)/b25-12+.

What are the key properties of N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167182443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).