N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

C25H27N5O5 — CID 46852384

IUPACN-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCOc1ccc2ncc(OCCC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CO5)CC3)cc2n1
InChIInChI=1S/C25H27N5O5/c1-33-23-9-7-18-20(28-23)12-17(13-26-18)34-11-10-15-2-4-16(5-3-15)27-25(32)19-6-8-21-24(29-19)30-22(31)14-35-21/h6-9,12-13,15-16H,2-5,10-11,14H2,1H3,(H,27,32)(H,29,30,31)
InChIKeyCSJQZGYJMMFIOQ-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.12
Rot. Bonds7

About N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 46852384) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
PubChem CID46852384
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC NameN-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCOc1ccc2ncc(OCCC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CO5)CC3)cc2n1
InChIInChI=1S/C25H27N5O5/c1-33-23-9-7-18-20(28-23)12-17(13-26-18)34-11-10-15-2-4-16(5-3-15)27-25(32)19-6-8-21-24(29-19)30-22(31)14-35-21/h6-9,12-13,15-16H,2-5,10-11,14H2,1H3,(H,27,32)(H,29,30,31)
InChIKeyCSJQZGYJMMFIOQ-UHFFFAOYSA-N
XLogP3.12
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The IUPAC name of N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (CID 46852384) is N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is COc1ccc2ncc(OCCC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CO5)CC3)cc2n1.
What is the InChIKey of N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The InChIKey is CSJQZGYJMMFIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-33-23-9-7-18-20(28-23)12-17(13-26-18)34-11-10-15-2-4-16(5-3-15)27-25(32)19-6-8-21-24(29-19)30-22(31)14-35-21/h6-9,12-13,15-16H,2-5,10-11,14H2,1H3,(H,27,32)(H,29,30,31).
What are the key properties of N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 46852384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).