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

C20H26N2O5 — CID 91262379

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

N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide (PubChem CID 91262379) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide
• PubChem CID: 91262379
• Molecular Formula: C20H26N2O5
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.18
• IUPAC Name: N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide
• SMILES: O=C(N[C@@H](CC1CCCC1)C(=O)N1CCCC2OCC(=O)C21)c1ccoc1
• InChI: InChI=1S/C20H26N2O5/c23-16-12-27-17-6-3-8-22(18(16)17)20(25)15(10-13-4-1-2-5-13)21-19(24)14-7-9-26-11-14/h7,9,11,13,15,17-18H,1-6,8,10,12H2,(H,21,24)/t15-,17?,18?/m0/s1
• InChIKey: VOBZMUMEIVEPKP-ZLPCBKJTSA-N
• XLogP: 1.92
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide (CID 91262379) is N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide.

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

The canonical SMILES for N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide is O=C(N[C@@H](CC1CCCC1)C(=O)N1CCCC2OCC(=O)C21)c1ccoc1.

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

The InChIKey is VOBZMUMEIVEPKP-ZLPCBKJTSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-16-12-27-17-6-3-8-22(18(16)17)20(25)15(10-13-4-1-2-5-13)21-19(24)14-7-9-26-11-14/h7,9,11,13,15,17-18H,1-6,8,10,12H2,(H,21,24)/t15-,17?,18?/m0/s1.

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

N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 91262379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).