5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide

C23H19ClN2O4 — CID 156871443

About 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide

5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide (PubChem CID 156871443) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide
• PubChem CID: 156871443
• Molecular Formula: C23H19ClN2O4
• Molecular Weight: 422.87 g/mol
• Exact Mass: 422.10
• IUPAC Name: 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide
• SMILES: Cc1c(OC(c2ccc(Cl)cc2)c2ccc(C(N)=O)nc2)ccc2c1OCCC2=O
• InChI: InChI=1S/C23H19ClN2O4/c1-13-20(9-7-17-19(27)10-11-29-21(13)17)30-22(14-2-5-16(24)6-3-14)15-4-8-18(23(25)28)26-12-15/h2-9,12,22H,10-11H2,1H3,(H2,25,28)
• InChIKey: BFZQVRLYYOBJRA-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 91.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.87
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide?

The IUPAC name of 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide (CID 156871443) is 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide is Cc1c(OC(c2ccc(Cl)cc2)c2ccc(C(N)=O)nc2)ccc2c1OCCC2=O.

What is the InChIKey of 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide?

The InChIKey is BFZQVRLYYOBJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-13-20(9-7-17-19(27)10-11-29-21(13)17)30-22(14-2-5-16(24)6-3-14)15-4-8-18(23(25)28)26-12-15/h2-9,12,22H,10-11H2,1H3,(H2,25,28).

What are the key properties of 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide?

5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 156871443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).