acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

C25H34N4O5 — CID 172910090

About acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172910090) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 172910090
• Molecular Formula: C25H34N4O5
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.25
• IUPAC Name: acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
• SMILES: CC(=O)O.Cc1cccc(NC(=O)CNC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)c1C
• InChI: InChI=1S/C23H30N4O3.C2H4O2/c1-15-6-4-8-19(17(15)3)26-20(28)13-25-22(29)21-16(2)9-11-27(23(21)30)14-18-7-5-10-24-12-18;1-2(3)4/h4,6,8-9,11,18,24H,5,7,10,12-14H2,1-3H3,(H,25,29)(H,26,28);1H3,(H,3,4)
• InChIKey: SIMVIISGUSSZHT-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 129.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172910090) is acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is CC(=O)O.Cc1cccc(NC(=O)CNC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)c1C.

What is the InChIKey of acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The InChIKey is SIMVIISGUSSZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3.C2H4O2/c1-15-6-4-8-19(17(15)3)26-20(28)13-25-22(29)21-16(2)9-11-27(23(21)30)14-18-7-5-10-24-12-18;1-2(3)4/h4,6,8-9,11,18,24H,5,7,10,12-14H2,1-3H3,(H,25,29)(H,26,28);1H3,(H,3,4).

What are the key properties of acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172910090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).