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

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

4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide (PubChem CID 171622145) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-N-(4-piperazin-1-ylphenyl)-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]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide
PubChem CID	171622145
Molecular Formula	C24H27N7O3
Molecular Weight	461.53 g/mol
Exact Mass	461.22
IUPAC Name	4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide
SMILES	Cc1c(Nc2cc[nH]c(=O)c2C(=O)Nc2ccc(N3CCNCC3)cc2)cnc2c1NCCO2
InChI	InChI=1S/C24H27N7O3/c1-15-19(14-28-24-21(15)26-10-13-34-24)30-18-6-7-27-22(32)20(18)23(33)29-16-2-4-17(5-3-16)31-11-8-25-9-12-31/h2-7,14,25-26H,8-13H2,1H3,(H,29,33)(H2,27,30,32)
InChIKey	KMGNFZAWMZGKMH-UHFFFAOYSA-N
XLogP	2.29
TPSA	123.41 Å²
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	2.29
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'}

Related Compounds

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]-2-oxo-N-(4-piperazin-1-ylphenyl)-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]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide (CID 171622145) is 4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-N-(4-piperazin-1-ylphenyl)-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]-2-oxo-N-(4-piperazin-1-ylphenyl)-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]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide is Cc1c(Nc2cc[nH]c(=O)c2C(=O)Nc2ccc(N3CCNCC3)cc2)cnc2c1NCCO2.

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

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

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

4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 5 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]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171622145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).