N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C18H20N6O2 — CID 74231099

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 74231099) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
• PubChem CID: 74231099
• Molecular Formula: C18H20N6O2
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16
• IUPAC Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
• SMILES: O=C(NCC(c1ccco1)N1CCCC1)c1ccc(-n2cnnc2)nc1
• InChI: InChI=1S/C18H20N6O2/c25-18(14-5-6-17(19-10-14)24-12-21-22-13-24)20-11-15(16-4-3-9-26-16)23-7-1-2-8-23/h3-6,9-10,12-13,15H,1-2,7-8,11H2,(H,20,25)
• InChIKey: CVSCYENMQPEQPG-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 89.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?

The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 74231099) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1ccc(-n2cnnc2)nc1.

What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?

The InChIKey is CVSCYENMQPEQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(14-5-6-17(19-10-14)24-12-21-22-13-24)20-11-15(16-4-3-9-26-16)23-7-1-2-8-23/h3-6,9-10,12-13,15H,1-2,7-8,11H2,(H,20,25).

What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 74231099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).