6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C24H27ClN6OS — CID 11757418

IUPAC6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C24H27ClN6OS/c1-15-2-4-20-23(28-15)18(19(25)13-27-20)8-11-31-9-6-16(7-10-31)26-12-17-3-5-21-24(29-17)30-22(32)14-33-21/h2-5,13,16,26H,6-12,14H2,1H3,(H,29,30,32)
InChIKeySZXYFQNESVFLEF-UHFFFAOYSA-N
MW483.04 g/mol
LogP3.83
Rot. Bonds6

About 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 11757418) has the molecular formula C24H27ClN6OS and a molecular weight of 483.04 g/mol. Its IUPAC name is 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID11757418
Molecular FormulaC24H27ClN6OS
Molecular Weight483.04 g/mol
Exact Mass482.17
IUPAC Name6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C24H27ClN6OS/c1-15-2-4-20-23(28-15)18(19(25)13-27-20)8-11-31-9-6-16(7-10-31)26-12-17-3-5-21-24(29-17)30-22(32)14-33-21/h2-5,13,16,26H,6-12,14H2,1H3,(H,29,30,32)
InChIKeySZXYFQNESVFLEF-UHFFFAOYSA-N
XLogP3.83
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.04
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-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-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 11757418) is 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is Cc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1.
What is the InChIKey of 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is SZXYFQNESVFLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6OS/c1-15-2-4-20-23(28-15)18(19(25)13-27-20)8-11-31-9-6-16(7-10-31)26-12-17-3-5-21-24(29-17)30-22(32)14-33-21/h2-5,13,16,26H,6-12,14H2,1H3,(H,29,30,32).
What are the key properties of 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 483.04 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 11757418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).