N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

C23H27N5O3 — CID 172664287

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172664287) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 172664287
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)NCC(c3ccco3)N3CCCC3)c2=O)cn1
• InChI: InChI=1S/C23H27N5O3/c1-16-7-10-28(15-18-13-24-17(2)12-25-18)23(30)21(16)22(29)26-14-19(20-6-5-11-31-20)27-8-3-4-9-27/h5-7,10-13,19H,3-4,8-9,14-15H2,1-2H3,(H,26,29)
• InChIKey: VZQPIXNCCNSVQY-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.46
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]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (CID 172664287) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)NCC(c3ccco3)N3CCCC3)c2=O)cn1.

What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is VZQPIXNCCNSVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16-7-10-28(15-18-13-24-17(2)12-25-18)23(30)21(16)22(29)26-14-19(20-6-5-11-31-20)27-8-3-4-9-27/h5-7,10-13,19H,3-4,8-9,14-15H2,1-2H3,(H,26,29).

What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.46, 7 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]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).