N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide

C21H21N3O5 — CID 163380544

About N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide

N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380544) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 163380544
• Molecular Formula: C21H21N3O5
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.15
• IUPAC Name: N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2ccc(OCc3ccc[nH]c3=O)cc2c1C(=O)NC1(C(N)=O)CCC1
• InChI: InChI=1S/C21H21N3O5/c1-12-17(19(26)24-21(20(22)27)7-3-8-21)15-10-14(5-6-16(15)29-12)28-11-13-4-2-9-23-18(13)25/h2,4-6,9-10H,3,7-8,11H2,1H3,(H2,22,27)(H,23,25)(H,24,26)
• InChIKey: XKQUINKDNNBAFJ-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 127.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380544) is N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccc[nH]c3=O)cc2c1C(=O)NC1(C(N)=O)CCC1.

What is the InChIKey of N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is XKQUINKDNNBAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-12-17(19(26)24-21(20(22)27)7-3-8-21)15-10-14(5-6-16(15)29-12)28-11-13-4-2-9-23-18(13)25/h2,4-6,9-10H,3,7-8,11H2,1H3,(H2,22,27)(H,23,25)(H,24,26).

What are the key properties of N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?

N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).