1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide

C21H24N2O4 — CID 158863344

About 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide (PubChem CID 158863344) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 158863344
• Molecular Formula: C21H24N2O4
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.17
• IUPAC Name: 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
• SMILES: CNC(=O)c1cc(C(=O)C[C@@H]2C[C@H]2C)cn(Cc2cccc(OC)c2)c1=O
• InChI: InChI=1S/C21H24N2O4/c1-13-7-15(13)10-19(24)16-9-18(20(25)22-2)21(26)23(12-16)11-14-5-4-6-17(8-14)27-3/h4-6,8-9,12-13,15H,7,10-11H2,1-3H3,(H,22,25)/t13-,15+/m1/s1
• InChIKey: JAXOAXQFGSVBMS-HIFRSBDPSA-N
• XLogP: 2.49
• TPSA: 77.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide (CID 158863344) is 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)C[C@@H]2C[C@H]2C)cn(Cc2cccc(OC)c2)c1=O.

What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide?

The InChIKey is JAXOAXQFGSVBMS-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-7-15(13)10-19(24)16-9-18(20(25)22-2)21(26)23(12-16)11-14-5-4-6-17(8-14)27-3/h4-6,8-9,12-13,15H,7,10-11H2,1-3H3,(H,22,25)/t13-,15+/m1/s1.

What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide?

1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 158863344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).