5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C19H19ClN2O4 — CID 91764049

About 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91764049) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 91764049
• Molecular Formula: C19H19ClN2O4
• Molecular Weight: 374.82 g/mol
• Exact Mass: 374.10
• IUPAC Name: 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
• SMILES: O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1c[nH]c(=O)c(Cl)c1
• InChI: InChI=1S/C19H19ClN2O4/c20-15-8-13(9-21-19(15)25)18(24)22-17(12-6-14(23)7-12)11-1-2-16-10(5-11)3-4-26-16/h1-2,5,8-9,12,14,17,23H,3-4,6-7H2,(H,21,25)(H,22,24)
• InChIKey: ZDBBTUAMCDGYQA-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.82
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 91764049) is 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1c[nH]c(=O)c(Cl)c1.

What is the InChIKey of 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is ZDBBTUAMCDGYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-15-8-13(9-21-19(15)25)18(24)22-17(12-6-14(23)7-12)11-1-2-16-10(5-11)3-4-26-16/h1-2,5,8-9,12,14,17,23H,3-4,6-7H2,(H,21,25)(H,22,24).

What are the key properties of 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?

5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 374.82 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91764049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).