4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid

C28H32N2O5 — CID 178145948

About 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid

4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 178145948) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid
• PubChem CID: 178145948
• Molecular Formula: C28H32N2O5
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.23
• IUPAC Name: 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid
• SMILES: COc1cc(OC)c(C(C)C)cc1-c1ccnc(C(=O)O)c1-c1ccc(CN2CCOCC2)cc1
• InChI: InChI=1S/C28H32N2O5/c1-18(2)22-15-23(25(34-4)16-24(22)33-3)21-9-10-29-27(28(31)32)26(21)20-7-5-19(6-8-20)17-30-11-13-35-14-12-30/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,31,32)
• InChIKey: SQJALRLYXDWVBS-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 81.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid?

The IUPAC name of 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid (CID 178145948) is 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid?

The canonical SMILES for 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid is COc1cc(OC)c(C(C)C)cc1-c1ccnc(C(=O)O)c1-c1ccc(CN2CCOCC2)cc1.

What is the InChIKey of 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid?

The InChIKey is SQJALRLYXDWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-18(2)22-15-23(25(34-4)16-24(22)33-3)21-9-10-29-27(28(31)32)26(21)20-7-5-19(6-8-20)17-30-11-13-35-14-12-30/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,31,32).

What are the key properties of 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid?

4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 476.57 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 178145948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).