[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate

C25H25N5O6 — CID 46852541

IUPAC[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate
SMILESCOc1ccc2ncc(C(=O)OCC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CO5)CC3)cc2n1
InChIInChI=1S/C25H25N5O6/c1-34-22-9-7-17-19(28-22)10-15(11-26-17)25(33)36-12-14-2-4-16(5-3-14)27-24(32)18-6-8-20-23(29-18)30-21(31)13-35-20/h6-11,14,16H,2-5,12-13H2,1H3,(H,27,32)(H,29,30,31)
InChIKeyURCACUCJZHSSMB-UHFFFAOYSA-N
MW491.50 g/mol
LogP2.51
Rot. Bonds6

About [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate

[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate (PubChem CID 46852541) has the molecular formula C25H25N5O6 and a molecular weight of 491.50 g/mol. Its IUPAC name is [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate
PubChem CID46852541
Molecular FormulaC25H25N5O6
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Name[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate
SMILESCOc1ccc2ncc(C(=O)OCC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CO5)CC3)cc2n1
InChIInChI=1S/C25H25N5O6/c1-34-22-9-7-17-19(28-22)10-15(11-26-17)25(33)36-12-14-2-4-16(5-3-14)27-24(32)18-6-8-20-23(29-18)30-21(31)13-35-20/h6-11,14,16H,2-5,12-13H2,1H3,(H,27,32)(H,29,30,31)
InChIKeyURCACUCJZHSSMB-UHFFFAOYSA-N
XLogP2.51
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate?
The IUPAC name of [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate (CID 46852541) is [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate is COc1ccc2ncc(C(=O)OCC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CO5)CC3)cc2n1.
What is the InChIKey of [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate?
The InChIKey is URCACUCJZHSSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O6/c1-34-22-9-7-17-19(28-22)10-15(11-26-17)25(33)36-12-14-2-4-16(5-3-14)27-24(32)18-6-8-20-23(29-18)30-21(31)13-35-20/h6-11,14,16H,2-5,12-13H2,1H3,(H,27,32)(H,29,30,31).
What are the key properties of [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate?
[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate has a molecular weight of 491.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)amino]cyclohexyl]methyl 6-methoxy-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 46852541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).