N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

C21H21ClN4O2 — CID 172672271

About N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172672271) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 172672271
• Molecular Formula: C21H21ClN4O2
• Molecular Weight: 396.88 g/mol
• Exact Mass: 396.14
• IUPAC Name: N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)NCCc3ccccc3Cl)c2=O)cn1
• InChI: InChI=1S/C21H21ClN4O2/c1-14-8-10-26(13-17-12-24-15(2)11-25-17)21(28)19(14)20(27)23-9-7-16-5-3-4-6-18(16)22/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,23,27)
• InChIKey: SWNKJNMRRJUQPR-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.88
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (CID 172672271) is N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)NCCc3ccccc3Cl)c2=O)cn1.

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

The InChIKey is SWNKJNMRRJUQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-8-10-26(13-17-12-24-15(2)11-25-17)21(28)19(14)20(27)23-9-7-16-5-3-4-6-18(16)22/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,23,27).

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

N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chlorophenyl)ethyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172672271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).