methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate

C22H24N4O3S — CID 171758312

About methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate

methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 171758312) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate
• PubChem CID: 171758312
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate
• SMILES: CCc1cc2ncc(SC3CCN(c4ccc(C(=O)OC)nc4)CC3)cc2[nH]c1=O
• InChI: InChI=1S/C22H24N4O3S/c1-3-14-10-19-20(25-21(14)27)11-17(13-24-19)30-16-6-8-26(9-7-16)15-4-5-18(23-12-15)22(28)29-2/h4-5,10-13,16H,3,6-9H2,1-2H3,(H,25,27)
• InChIKey: IGEHEEVHBDILTG-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate?

The IUPAC name of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate (CID 171758312) is methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate?

The canonical SMILES for methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate is CCc1cc2ncc(SC3CCN(c4ccc(C(=O)OC)nc4)CC3)cc2[nH]c1=O.

What is the InChIKey of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate?

The InChIKey is IGEHEEVHBDILTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-3-14-10-19-20(25-21(14)27)11-17(13-24-19)30-16-6-8-26(9-7-16)15-4-5-18(23-12-15)22(28)29-2/h4-5,10-13,16H,3,6-9H2,1-2H3,(H,25,27).

What are the key properties of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate?

methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 424.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)sulfanyl]piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 171758312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).