6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C24H26N6O3S — CID 163695141

IUPAC6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(/N=C/c4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C24H26N6O3S/c1-33-18-12-20-19(26-14-18)3-5-23(32)30(20)11-10-29-8-6-16(7-9-29)25-13-17-2-4-21-24(27-17)28-22(31)15-34-21/h2-5,12-14,16H,6-11,15H2,1H3,(H,27,28,31)/b25-13+
InChIKeyJWIHNEYGONKHKQ-DHRITJCHSA-N
MW478.58 g/mol
LogP2.43
Rot. Bonds6

About 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 163695141) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID163695141
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(/N=C/c4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C24H26N6O3S/c1-33-18-12-20-19(26-14-18)3-5-23(32)30(20)11-10-29-8-6-16(7-9-29)25-13-17-2-4-21-24(27-17)28-22(31)15-34-21/h2-5,12-14,16H,6-11,15H2,1H3,(H,27,28,31)/b25-13+
InChIKeyJWIHNEYGONKHKQ-DHRITJCHSA-N
XLogP2.43
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 163695141) is 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1cnc2ccc(=O)n(CCN3CCC(/N=C/c4ccc5c(n4)NC(=O)CS5)CC3)c2c1.
What is the InChIKey of 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is JWIHNEYGONKHKQ-DHRITJCHSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-33-18-12-20-19(26-14-18)3-5-23(32)30(20)11-10-29-8-6-16(7-9-29)25-13-17-2-4-21-24(27-17)28-22(31)15-34-21/h2-5,12-14,16H,6-11,15H2,1H3,(H,27,28,31)/b25-13+.
What are the key properties of 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 478.58 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 163695141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).