N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

C24H26N6O4S — CID 11576855

IUPACN-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2nccc(CCN3CCOC(CNC(=O)c4ccc5c(n4)NC(=O)CS5)C3)c2n1
InChIInChI=1S/C24H26N6O4S/c1-33-21-5-3-17-22(29-21)15(6-8-25-17)7-9-30-10-11-34-16(13-30)12-26-24(32)18-2-4-19-23(27-18)28-20(31)14-35-19/h2-6,8,16H,7,9-14H2,1H3,(H,26,32)(H,27,28,31)
InChIKeyJBYPDPRGTXGQGZ-UHFFFAOYSA-N
MW494.58 g/mol
LogP1.75
Rot. Bonds7

About N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (PubChem CID 11576855) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
PubChem CID11576855
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2nccc(CCN3CCOC(CNC(=O)c4ccc5c(n4)NC(=O)CS5)C3)c2n1
InChIInChI=1S/C24H26N6O4S/c1-33-21-5-3-17-22(29-21)15(6-8-25-17)7-9-30-10-11-34-16(13-30)12-26-24(32)18-2-4-19-23(27-18)28-20(31)14-35-19/h2-6,8,16H,7,9-14H2,1H3,(H,26,32)(H,27,28,31)
InChIKeyJBYPDPRGTXGQGZ-UHFFFAOYSA-N
XLogP1.75
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-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-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The IUPAC name of N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (CID 11576855) is N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.
What is the SMILES notation for N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The canonical SMILES for N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is COc1ccc2nccc(CCN3CCOC(CNC(=O)c4ccc5c(n4)NC(=O)CS5)C3)c2n1.
What is the InChIKey of N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The InChIKey is JBYPDPRGTXGQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-33-21-5-3-17-22(29-21)15(6-8-25-17)7-9-30-10-11-34-16(13-30)12-26-24(32)18-2-4-19-23(27-18)28-20(31)14-35-19/h2-6,8,16H,7,9-14H2,1H3,(H,26,32)(H,27,28,31).
What are the key properties of N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is sourced from PubChem (CID 11576855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).