formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

C23H28N4O5 — CID 172910120

About formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 172910120) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
• PubChem CID: 172910120
• Molecular Formula: C23H28N4O5
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.21
• IUPAC Name: formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
• SMILES: Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N(CCO)Cc1nccn1C.O=CO
• InChI: InChI=1S/C22H26N4O3.CH2O2/c1-16-9-11-26(17(2)18-7-5-4-6-8-18)22(29)20(16)21(28)25(13-14-27)15-19-23-10-12-24(19)3;2-1-3/h4-12,17,27H,13-15H2,1-3H3;1H,(H,2,3)
• InChIKey: JEHRJHLGTCGVHW-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 117.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?

The IUPAC name of formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (CID 172910120) is formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.

What is the SMILES notation for formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?

The canonical SMILES for formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N(CCO)Cc1nccn1C.O=CO.

What is the InChIKey of formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?

The InChIKey is JEHRJHLGTCGVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.CH2O2/c1-16-9-11-26(17(2)18-7-5-4-6-8-18)22(29)20(16)21(28)25(13-14-27)15-19-23-10-12-24(19)3;2-1-3/h4-12,17,27H,13-15H2,1-3H3;1H,(H,2,3).

What are the key properties of formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?

formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172910120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).