6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide

C32H28N6O3 — CID 134320230

About 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide

6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide (PubChem CID 134320230) has the molecular formula C32H28N6O3 and a molecular weight of 544.62 g/mol. Its IUPAC name is 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide
• PubChem CID: 134320230
• Molecular Formula: C32H28N6O3
• Molecular Weight: 544.62 g/mol
• Exact Mass: 544.22
• IUPAC Name: 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide
• SMILES: COc1ccc(/C(C)=C(\Nc2cccc(C(N)=O)n2)Nc2c(-c3ccccc3)c(-c3ccccc3)nn2C=O)cc1
• InChI: InChI=1S/C32H28N6O3/c1-21(22-16-18-25(41-2)19-17-22)31(35-27-15-9-14-26(34-27)30(33)40)36-32-28(23-10-5-3-6-11-23)29(37-38(32)20-39)24-12-7-4-8-13-24/h3-20,36H,1-2H3,(H2,33,40)(H,34,35)/b31-21+
• InChIKey: YANZDNFGKNYBOB-NJZRLIGZSA-N
• XLogP: 5.67
• TPSA: 124.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.62
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide?

The IUPAC name of 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide (CID 134320230) is 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide is COc1ccc(/C(C)=C(\Nc2cccc(C(N)=O)n2)Nc2c(-c3ccccc3)c(-c3ccccc3)nn2C=O)cc1.

What is the InChIKey of 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide?

The InChIKey is YANZDNFGKNYBOB-NJZRLIGZSA-N. The full InChI is InChI=1S/C32H28N6O3/c1-21(22-16-18-25(41-2)19-17-22)31(35-27-15-9-14-26(34-27)30(33)40)36-32-28(23-10-5-3-6-11-23)29(37-38(32)20-39)24-12-7-4-8-13-24/h3-20,36H,1-2H3,(H2,33,40)(H,34,35)/b31-21+.

What are the key properties of 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide?

6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide has a molecular weight of 544.62 g/mol, XLogP of 5.67, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 134320230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).