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

C25H30N6O4S — CID 44527655

IUPAC6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(OC)c(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@H](O)C3)c2n1
InChIInChI=1S/C25H30N6O4S/c1-34-20-12-27-18-4-6-23(35-2)30-24(18)16(20)7-9-31-10-8-17(19(32)13-31)26-11-15-3-5-21-25(28-15)29-22(33)14-36-21/h3-6,12,17,19,26,32H,7-11,13-14H2,1-2H3,(H,28,29,33)/t17-,19-/m1/s1
InChIKeyISPYXUPXIZNIIN-IEBWSBKVSA-N
MW510.62 g/mol
LogP1.85
Rot. Bonds8

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

6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 44527655) has the molecular formula C25H30N6O4S and a molecular weight of 510.62 g/mol. Its IUPAC name is 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID44527655
Molecular FormulaC25H30N6O4S
Molecular Weight510.62 g/mol
Exact Mass510.20
IUPAC Name6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(OC)c(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@H](O)C3)c2n1
InChIInChI=1S/C25H30N6O4S/c1-34-20-12-27-18-4-6-23(35-2)30-24(18)16(20)7-9-31-10-8-17(19(32)13-31)26-11-15-3-5-21-25(28-15)29-22(33)14-36-21/h3-6,12,17,19,26,32H,7-11,13-14H2,1-2H3,(H,28,29,33)/t17-,19-/m1/s1
InChIKeyISPYXUPXIZNIIN-IEBWSBKVSA-N
XLogP1.85
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-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-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 44527655) is 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2ncc(OC)c(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@H](O)C3)c2n1.
What is the InChIKey of 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is ISPYXUPXIZNIIN-IEBWSBKVSA-N. The full InChI is InChI=1S/C25H30N6O4S/c1-34-20-12-27-18-4-6-23(35-2)30-24(18)16(20)7-9-31-10-8-17(19(32)13-31)26-11-15-3-5-21-25(28-15)29-22(33)14-36-21/h3-6,12,17,19,26,32H,7-11,13-14H2,1-2H3,(H,28,29,33)/t17-,19-/m1/s1.
What are the key properties of 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 510.62 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 44527655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).