4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide

C23H22ClN5O2 — CID 69075285

About 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide

4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 69075285) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 69075285
• Molecular Formula: C23H22ClN5O2
• Molecular Weight: 435.92 g/mol
• Exact Mass: 435.15
• IUPAC Name: 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide
• SMILES: O=C(Nc1cnn(CCCn2cccc2)c1)c1cc(COc2ccccc2Cl)ccn1
• InChI: InChI=1S/C23H22ClN5O2/c24-20-6-1-2-7-22(20)31-17-18-8-9-25-21(14-18)23(30)27-19-15-26-29(16-19)13-5-12-28-10-3-4-11-28/h1-4,6-11,14-16H,5,12-13,17H2,(H,27,30)
• InChIKey: JGQJJSIZXHBBAS-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.92
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 69075285) is 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(CCCn2cccc2)c1)c1cc(COc2ccccc2Cl)ccn1.

What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide?

The InChIKey is JGQJJSIZXHBBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c24-20-6-1-2-7-22(20)31-17-18-8-9-25-21(14-18)23(30)27-19-15-26-29(16-19)13-5-12-28-10-3-4-11-28/h1-4,6-11,14-16H,5,12-13,17H2,(H,27,30).

What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide?

4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 69075285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).