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

C20H21ClN4O3 — CID 55971342

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

1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55971342) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 55971342
• Molecular Formula: C20H21ClN4O3
• Molecular Weight: 400.87 g/mol
• Exact Mass: 400.13
• IUPAC Name: 1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: NC(=O)C1CCCN(c2ccc(NC(=O)C3Cc4cc(Cl)ccc4O3)cn2)C1
• InChI: InChI=1S/C20H21ClN4O3/c21-14-3-5-16-13(8-14)9-17(28-16)20(27)24-15-4-6-18(23-10-15)25-7-1-2-12(11-25)19(22)26/h3-6,8,10,12,17H,1-2,7,9,11H2,(H2,22,26)(H,24,27)
• InChIKey: OIXZNSCNWYLGIO-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.87
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55971342) is 1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)C3Cc4cc(Cl)ccc4O3)cn2)C1.

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

The InChIKey is OIXZNSCNWYLGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c21-14-3-5-16-13(8-14)9-17(28-16)20(27)24-15-4-6-18(23-10-15)25-7-1-2-12(11-25)19(22)26/h3-6,8,10,12,17H,1-2,7,9,11H2,(H2,22,26)(H,24,27).

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

1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55971342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).