N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide

C26H25N3O5S — CID 69051670

About N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide

N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 69051670) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
• PubChem CID: 69051670
• Molecular Formula: C26H25N3O5S
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.15
• IUPAC Name: N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
• SMILES: O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21)c1cncc(-c2cccs2)c1
• InChI: InChI=1S/C26H25N3O5S/c30-19-7-5-16(6-8-19)11-20(26(33)29-9-1-3-22-24(29)21(31)15-34-22)28-25(32)18-12-17(13-27-14-18)23-4-2-10-35-23/h2,4-8,10,12-14,20,22,24,30H,1,3,9,11,15H2,(H,28,32)/t20-,22?,24?/m0/s1
• InChIKey: BQZKTZDYLMPEKT-INVBSJAUSA-N
• XLogP: 2.82
• TPSA: 108.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?

The IUPAC name of N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 69051670) is N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21)c1cncc(-c2cccs2)c1.

What is the InChIKey of N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?

The InChIKey is BQZKTZDYLMPEKT-INVBSJAUSA-N. The full InChI is InChI=1S/C26H25N3O5S/c30-19-7-5-16(6-8-19)11-20(26(33)29-9-1-3-22-24(29)21(31)15-34-22)28-25(32)18-12-17(13-27-14-18)23-4-2-10-35-23/h2,4-8,10,12-14,20,22,24,30H,1,3,9,11,15H2,(H,28,32)/t20-,22?,24?/m0/s1.

What are the key properties of N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?

N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 69051670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).