N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide

C18H18ClN5O3 — CID 55994508

About N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 55994508) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
• PubChem CID: 55994508
• Molecular Formula: C18H18ClN5O3
• Molecular Weight: 387.83 g/mol
• Exact Mass: 387.11
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2nnc(-c3ccco3)o2)C1
• InChI: InChI=1S/C18H18ClN5O3/c19-13-5-6-15(20-9-13)21-17(25)12-3-1-7-24(10-12)11-16-22-23-18(27-16)14-4-2-8-26-14/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,20,21,25)
• InChIKey: ZFCMBNAJNGJCJO-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.83
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide (CID 55994508) is N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2nnc(-c3ccco3)o2)C1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?

The InChIKey is ZFCMBNAJNGJCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c19-13-5-6-15(20-9-13)21-17(25)12-3-1-7-24(10-12)11-16-22-23-18(27-16)14-4-2-8-26-14/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,20,21,25).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 387.83 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55994508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).