5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide

C21H22N4O3 — CID 37313586

About 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide

5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 37313586) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
• PubChem CID: 37313586
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
• SMILES: O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(Cn2ccccc2=O)o1
• InChI: InChI=1S/C21H22N4O3/c26-20-5-1-2-12-25(20)15-17-6-7-18(28-17)21(27)23-14-16-8-9-22-19(13-16)24-10-3-4-11-24/h1-2,5-9,12-13H,3-4,10-11,14-15H2,(H,23,27)
• InChIKey: HSAWHJCTVKHOBF-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide?

The IUPAC name of 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide (CID 37313586) is 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide is O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(Cn2ccccc2=O)o1.

What is the InChIKey of 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide?

The InChIKey is HSAWHJCTVKHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20-5-1-2-12-25(20)15-17-6-7-18(28-17)21(27)23-14-16-8-9-22-19(13-16)24-10-3-4-11-24/h1-2,5-9,12-13H,3-4,10-11,14-15H2,(H,23,27).

What are the key properties of 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide?

5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 37313586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).