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

C24H27N7O3 — CID 171622169

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

N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 171622169) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 171622169
• Molecular Formula: C24H27N7O3
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.22
• IUPAC Name: N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1c(Nc2cc[nH]c(=O)c2C(=O)Nc2ccc(N3CCC(N)C3)cc2)cnc2c1NCCO2
• InChI: InChI=1S/C24H27N7O3/c1-14-19(12-28-24-21(14)26-9-11-34-24)30-18-6-8-27-22(32)20(18)23(33)29-16-2-4-17(5-3-16)31-10-7-15(25)13-31/h2-6,8,12,15,26H,7,9-11,13,25H2,1H3,(H,29,33)(H2,27,30,32)
• InChIKey: LUZONITZSCDCLW-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 137.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	5
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 N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide (CID 171622169) is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide.

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

The canonical SMILES for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide is Cc1c(Nc2cc[nH]c(=O)c2C(=O)Nc2ccc(N3CCC(N)C3)cc2)cnc2c1NCCO2.

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

The InChIKey is LUZONITZSCDCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-14-19(12-28-24-21(14)26-9-11-34-24)30-18-6-8-27-22(32)20(18)23(33)29-16-2-4-17(5-3-16)31-10-7-15(25)13-31/h2-6,8,12,15,26H,7,9-11,13,25H2,1H3,(H,29,33)(H2,27,30,32).

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

N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171622169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).