4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide

C29H35N7O4 — CID 177267381

About 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide

4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 177267381) has the molecular formula C29H35N7O4 and a molecular weight of 545.64 g/mol. Its IUPAC name is 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 177267381
• Molecular Formula: C29H35N7O4
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.28
• IUPAC Name: 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1c(Nc2cc[nH]c(=O)c2C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)C(C)C3)cc2)cnc2c1NCCO2
• InChI: InChI=1S/C29H35N7O4/c1-17(2)29(39)36-13-12-35(16-18(36)3)21-7-5-20(6-8-21)33-27(38)24-22(9-10-31-26(24)37)34-23-15-32-28-25(19(23)4)30-11-14-40-28/h5-10,15,17-18,30H,11-14,16H2,1-4H3,(H,33,38)(H2,31,34,37)
• InChIKey: GPCOGDVCIBYILB-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 131.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 177267381) is 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1c(Nc2cc[nH]c(=O)c2C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)C(C)C3)cc2)cnc2c1NCCO2.

What is the InChIKey of 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is GPCOGDVCIBYILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O4/c1-17(2)29(39)36-13-12-35(16-18(36)3)21-7-5-20(6-8-21)33-27(38)24-22(9-10-31-26(24)37)34-23-15-32-28-25(19(23)4)30-11-14-40-28/h5-10,15,17-18,30H,11-14,16H2,1-4H3,(H,33,38)(H2,31,34,37).

What are the key properties of 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?

4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 545.64 g/mol, XLogP of 3.57, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 177267381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).