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

C25H26N8O3 — CID 171622391

IUPAC4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3c(Nc4cnc5c(c4C#N)NCCO5)cc[nH]c3=O)cc2)CC1
InChIInChI=1S/C25H26N8O3/c1-32-9-11-33(12-10-32)17-4-2-16(3-5-17)30-24(35)21-19(6-7-28-23(21)34)31-20-15-29-25-22(18(20)14-26)27-8-13-36-25/h2-7,15,27H,8-13H2,1H3,(H,30,35)(H2,28,31,34)
InChIKeyHQVRCNMKTSHMNY-UHFFFAOYSA-N
MW486.54 g/mol
LogP2.19
Rot. Bonds5

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

4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 171622391) has the molecular formula C25H26N8O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID171622391
Molecular FormulaC25H26N8O3
Molecular Weight486.54 g/mol
Exact Mass486.21
IUPAC Name4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3c(Nc4cnc5c(c4C#N)NCCO5)cc[nH]c3=O)cc2)CC1
InChIInChI=1S/C25H26N8O3/c1-32-9-11-33(12-10-32)17-4-2-16(3-5-17)30-24(35)21-19(6-7-28-23(21)34)31-20-15-29-25-22(18(20)14-26)27-8-13-36-25/h2-7,15,27H,8-13H2,1H3,(H,30,35)(H2,28,31,34)
InChIKeyHQVRCNMKTSHMNY-UHFFFAOYSA-N
XLogP2.19
TPSA138.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 171622391) is 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide is CN1CCN(c2ccc(NC(=O)c3c(Nc4cnc5c(c4C#N)NCCO5)cc[nH]c3=O)cc2)CC1.
What is the InChIKey of 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HQVRCNMKTSHMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O3/c1-32-9-11-33(12-10-32)17-4-2-16(3-5-17)30-24(35)21-19(6-7-28-23(21)34)31-20-15-29-25-22(18(20)14-26)27-8-13-36-25/h2-7,15,27H,8-13H2,1H3,(H,30,35)(H2,28,31,34).
What are the key properties of 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyano-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171622391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).