N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

C24H31N5O6 — CID 118252831

About N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118252831) has the molecular formula C24H31N5O6 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• PubChem CID: 118252831
• Molecular Formula: C24H31N5O6
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.23
• IUPAC Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• SMILES: CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N([C@@H](C)CO)CC2
• InChI: InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(3)31)25-22(32)17-14-35-19-7-8-29(15(2)13-30)24(33)21(17)19/h5-6,14-15,30H,4,7-13H2,1-3H3,(H,25,32)/t15-/m0/s1
• InChIKey: IQJLPLLZRSTGBO-HNNXBMFYSA-N
• XLogP: 1.37
• TPSA: 128.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (CID 118252831) is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N([C@@H](C)CO)CC2.

What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The InChIKey is IQJLPLLZRSTGBO-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(3)31)25-22(32)17-14-35-19-7-8-29(15(2)13-30)24(33)21(17)19/h5-6,14-15,30H,4,7-13H2,1-3H3,(H,25,32)/t15-/m0/s1.

What are the key properties of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).