4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide

C22H20ClN3O4 — CID 158641137

About 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide

4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 158641137) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide
• PubChem CID: 158641137
• Molecular Formula: C22H20ClN3O4
• Molecular Weight: 425.87 g/mol
• Exact Mass: 425.11
• IUPAC Name: 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide
• SMILES: COc1ccc(CNC(=O)c2cc(CC(=O)Cc3cc(Cl)ccc3O)ccn2)nc1
• InChI: InChI=1S/C22H20ClN3O4/c1-30-19-4-3-17(25-13-19)12-26-22(29)20-9-14(6-7-24-20)8-18(27)11-15-10-16(23)2-5-21(15)28/h2-7,9-10,13,28H,8,11-12H2,1H3,(H,26,29)
• InChIKey: IAKAJGSLXMWETB-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 101.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.87
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide?

The IUPAC name of 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide (CID 158641137) is 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(CC(=O)Cc3cc(Cl)ccc3O)ccn2)nc1.

What is the InChIKey of 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide?

The InChIKey is IAKAJGSLXMWETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-30-19-4-3-17(25-13-19)12-26-22(29)20-9-14(6-7-24-20)8-18(27)11-15-10-16(23)2-5-21(15)28/h2-7,9-10,13,28H,8,11-12H2,1H3,(H,26,29).

What are the key properties of 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide?

4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 425.87 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 158641137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).