N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride

C19H22ClN3O4 — CID 120944653

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride (PubChem CID 120944653) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
• PubChem CID: 120944653
• Molecular Formula: C19H22ClN3O4
• Molecular Weight: 391.86 g/mol
• Exact Mass: 391.13
• IUPAC Name: N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
• SMILES: Cl.O=C(NCC1CNCC1O)c1occc1CN1C(=O)Cc2ccccc21
• InChI: InChI=1S/C19H21N3O4.ClH/c23-16-10-20-8-14(16)9-21-19(25)18-13(5-6-26-18)11-22-15-4-2-1-3-12(15)7-17(22)24;/h1-6,14,16,20,23H,7-11H2,(H,21,25);1H
• InChIKey: IJNZUBWPRBGNDY-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 94.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.86
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride?

The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride (CID 120944653) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride?

The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1occc1CN1C(=O)Cc2ccccc21.

What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride?

The InChIKey is IJNZUBWPRBGNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4.ClH/c23-16-10-20-8-14(16)9-21-19(25)18-13(5-6-26-18)11-22-15-4-2-1-3-12(15)7-17(22)24;/h1-6,14,16,20,23H,7-11H2,(H,21,25);1H.

What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride?

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride has a molecular weight of 391.86 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120944653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).