N-[4-[4-(cyclopentanecarbonyl)piperazin-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

About N-[4-[4-(cyclopentanecarbonyl)piperazin-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-[4-(cyclopentanecarbonyl)piperazin-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 171622363) has the molecular formula C30H35N7O4 and a molecular weight of 557.66 g/mol. Its IUPAC name is N-[4-[4-(cyclopentanecarbonyl)piperazin-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-[4-(cyclopentanecarbonyl)piperazin-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	171622363
Molecular Formula	C30H35N7O4
Molecular Weight	557.66 g/mol
Exact Mass	557.28
IUPAC Name	N-[4-[4-(cyclopentanecarbonyl)piperazin-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(N3CCN(C(=O)C4CCCC4)CC3)cc2)cnc2c1NCCO2
InChI	InChI=1S/C30H35N7O4/c1-19-24(18-33-29-26(19)31-12-17-41-29)35-23-10-11-32-27(38)25(23)28(39)34-21-6-8-22(9-7-21)36-13-15-37(16-14-36)30(40)20-4-2-3-5-20/h6-11,18,20,31H,2-5,12-17H2,1H3,(H,34,39)(H2,32,35,38)
InChIKey	RIJSSXRASXAHIT-UHFFFAOYSA-N
XLogP	3.72
TPSA	131.69 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	3.72
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'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopentanecarbonyl)piperazin-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-[4-(cyclopentanecarbonyl)piperazin-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 171622363) is N-[4-[4-(cyclopentanecarbonyl)piperazin-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-[4-(cyclopentanecarbonyl)piperazin-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-[4-(cyclopentanecarbonyl)piperazin-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(N3CCN(C(=O)C4CCCC4)CC3)cc2)cnc2c1NCCO2.

What is the InChIKey of N-[4-[4-(cyclopentanecarbonyl)piperazin-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 RIJSSXRASXAHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O4/c1-19-24(18-33-29-26(19)31-12-17-41-29)35-23-10-11-32-27(38)25(23)28(39)34-21-6-8-22(9-7-21)36-13-15-37(16-14-36)30(40)20-4-2-3-5-20/h6-11,18,20,31H,2-5,12-17H2,1H3,(H,34,39)(H2,32,35,38).

What are the key properties of N-[4-[4-(cyclopentanecarbonyl)piperazin-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-[4-(cyclopentanecarbonyl)piperazin-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 557.66 g/mol, XLogP of 3.72, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(cyclopentanecarbonyl)piperazin-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 171622363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).