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

C26H33N7OS — CID 44536369

IUPAC6-[[[1-[2-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCCCNc1ccc2nccc(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C26H33N7OS/c1-2-11-28-23-6-4-21-25(31-23)18(7-12-27-21)8-13-33-14-9-19(10-15-33)29-16-20-3-5-22-26(30-20)32-24(34)17-35-22/h3-7,12,19,29H,2,8-11,13-17H2,1H3,(H,28,31)(H,30,32,34)
InChIKeyFJJYJUNWRFKDMC-UHFFFAOYSA-N
MW491.67 g/mol
LogP3.69
Rot. Bonds9

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

6-[[[1-[2-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 44536369) has the molecular formula C26H33N7OS and a molecular weight of 491.67 g/mol. Its IUPAC name is 6-[[[1-[2-[6-(propylamino)-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-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID44536369
Molecular FormulaC26H33N7OS
Molecular Weight491.67 g/mol
Exact Mass491.25
IUPAC Name6-[[[1-[2-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCCCNc1ccc2nccc(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C26H33N7OS/c1-2-11-28-23-6-4-21-25(31-23)18(7-12-27-21)8-13-33-14-9-19(10-15-33)29-16-20-3-5-22-26(30-20)32-24(34)17-35-22/h3-7,12,19,29H,2,8-11,13-17H2,1H3,(H,28,31)(H,30,32,34)
InChIKeyFJJYJUNWRFKDMC-UHFFFAOYSA-N
XLogP3.69
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.67
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-[6-(propylamino)-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-[6-(propylamino)-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-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 44536369) is 6-[[[1-[2-[6-(propylamino)-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-[6-(propylamino)-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-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is CCCNc1ccc2nccc(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1.
What is the InChIKey of 6-[[[1-[2-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is FJJYJUNWRFKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7OS/c1-2-11-28-23-6-4-21-25(31-23)18(7-12-27-21)8-13-33-14-9-19(10-15-33)29-16-20-3-5-22-26(30-20)32-24(34)17-35-22/h3-7,12,19,29H,2,8-11,13-17H2,1H3,(H,28,31)(H,30,32,34).
What are the key properties of 6-[[[1-[2-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[1-[2-[6-(propylamino)-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 491.67 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[6-(propylamino)-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 44536369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).