N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

C26H25N5O5S — CID 91096740

IUPACN-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2nccc(C=CC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)C(CC=O)O3)c2n1
InChIInChI=1S/C26H25N5O5S/c1-35-23-9-7-18-24(31-23)15(10-12-27-18)2-3-16-4-5-17(20(36-16)11-13-32)29-26(34)19-6-8-21-25(28-19)30-22(33)14-37-21/h2-3,6-10,12-13,16-17,20H,4-5,11,14H2,1H3,(H,29,34)(H,28,30,33)
InChIKeyVLWRJIBWWYSCTK-UHFFFAOYSA-N
MW519.58 g/mol
LogP3.03
Rot. Bonds7

About N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (PubChem CID 91096740) has the molecular formula C26H25N5O5S and a molecular weight of 519.58 g/mol. Its IUPAC name is N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
PubChem CID91096740
Molecular FormulaC26H25N5O5S
Molecular Weight519.58 g/mol
Exact Mass519.16
IUPAC NameN-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2nccc(C=CC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)C(CC=O)O3)c2n1
InChIInChI=1S/C26H25N5O5S/c1-35-23-9-7-18-24(31-23)15(10-12-27-18)2-3-16-4-5-17(20(36-16)11-13-32)29-26(34)19-6-8-21-25(28-19)30-22(33)14-37-21/h2-3,6-10,12-13,16-17,20H,4-5,11,14H2,1H3,(H,29,34)(H,28,30,33)
InChIKeyVLWRJIBWWYSCTK-UHFFFAOYSA-N
XLogP3.03
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The IUPAC name of N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (CID 91096740) is N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.
What is the SMILES notation for N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The canonical SMILES for N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is COc1ccc2nccc(C=CC3CCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)C(CC=O)O3)c2n1.
What is the InChIKey of N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The InChIKey is VLWRJIBWWYSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5S/c1-35-23-9-7-18-24(31-23)15(10-12-27-18)2-3-16-4-5-17(20(36-16)11-13-32)29-26(34)19-6-8-21-25(28-19)30-22(33)14-37-21/h2-3,6-10,12-13,16-17,20H,4-5,11,14H2,1H3,(H,29,34)(H,28,30,33).
What are the key properties of N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide has a molecular weight of 519.58 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is sourced from PubChem (CID 91096740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).