N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine

C24H30N6O2S — CID 143178032

IUPACN-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine
SMILESCOc1ccc2nccc(CCN3CCOC(CNCc4ccc5c(n4)NCCS5)C3)c2n1
InChIInChI=1S/C24H30N6O2S/c1-31-22-5-3-20-23(29-22)17(6-8-26-20)7-10-30-11-12-32-19(16-30)15-25-14-18-2-4-21-24(28-18)27-9-13-33-21/h2-6,8,19,25H,7,9-16H2,1H3,(H,27,28)
InChIKeyUJVJAGWKJDHZPM-UHFFFAOYSA-N
MW466.61 g/mol
LogP2.58
Rot. Bonds8

About N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine

N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine (PubChem CID 143178032) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine
PubChem CID143178032
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC NameN-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine
SMILESCOc1ccc2nccc(CCN3CCOC(CNCc4ccc5c(n4)NCCS5)C3)c2n1
InChIInChI=1S/C24H30N6O2S/c1-31-22-5-3-20-23(29-22)17(6-8-26-20)7-10-30-11-12-32-19(16-30)15-25-14-18-2-4-21-24(28-18)27-9-13-33-21/h2-6,8,19,25H,7,9-16H2,1H3,(H,27,28)
InChIKeyUJVJAGWKJDHZPM-UHFFFAOYSA-N
XLogP2.58
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine with MolForge

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Related Compounds

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11362597
(2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide
CID 11518618
6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11532848
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 44528524
6-[[[(3R,6S)-6-[1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67365574
6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69470127
6-[[[(3R,6S)-6-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69471248
6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 73333621
6-[[[(3S,6R)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 73334075
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]cyclohexane-1-carboxamide
CID 73356818

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine (CID 143178032) is N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine is COc1ccc2nccc(CCN3CCOC(CNCc4ccc5c(n4)NCCS5)C3)c2n1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine?
The InChIKey is UJVJAGWKJDHZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-31-22-5-3-20-23(29-22)17(6-8-26-20)7-10-30-11-12-32-19(16-30)15-25-14-18-2-4-21-24(28-18)27-9-13-33-21/h2-6,8,19,25H,7,9-16H2,1H3,(H,27,28).
What are the key properties of N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine?
N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine has a molecular weight of 466.61 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)-1-[4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 143178032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).