1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C21H23FN4O3 — CID 126774314

About 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 126774314) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 126774314
• Molecular Formula: C21H23FN4O3
• Molecular Weight: 398.44 g/mol
• Exact Mass: 398.18
• IUPAC Name: 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
• SMILES: NC(=O)C1CCN(c2ncccc2CNC(=O)C2Cc3cc(F)ccc3O2)CC1
• InChI: InChI=1S/C21H23FN4O3/c22-16-3-4-17-15(10-16)11-18(29-17)21(28)25-12-14-2-1-7-24-20(14)26-8-5-13(6-9-26)19(23)27/h1-4,7,10,13,18H,5-6,8-9,11-12H2,(H2,23,27)(H,25,28)
• InChIKey: LBTDQHPHADELMS-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.44
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?

The IUPAC name of 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 126774314) is 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2CNC(=O)C2Cc3cc(F)ccc3O2)CC1.

What is the InChIKey of 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?

The InChIKey is LBTDQHPHADELMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c22-16-3-4-17-15(10-16)11-18(29-17)21(28)25-12-14-2-1-7-24-20(14)26-8-5-13(6-9-26)19(23)27/h1-4,7,10,13,18H,5-6,8-9,11-12H2,(H2,23,27)(H,25,28).

What are the key properties of 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?

1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 126774314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).