3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid

C24H31N3O4 — CID 167688820

About 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid

3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid (PubChem CID 167688820) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid
• PubChem CID: 167688820
• Molecular Formula: C24H31N3O4
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.23
• IUPAC Name: 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid
• SMILES: Cc1ccc(C2CN(c3cncc(OCC4CCC(C)CC4)c3)CCO2)nc1C(=O)O
• InChI: InChI=1S/C24H31N3O4/c1-16-3-6-18(7-4-16)15-31-20-11-19(12-25-13-20)27-9-10-30-22(14-27)21-8-5-17(2)23(26-21)24(28)29/h5,8,11-13,16,18,22H,3-4,6-7,9-10,14-15H2,1-2H3,(H,28,29)
• InChIKey: WPRHOKBFRUMJLF-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 84.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid?

The IUPAC name of 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid (CID 167688820) is 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid is Cc1ccc(C2CN(c3cncc(OCC4CCC(C)CC4)c3)CCO2)nc1C(=O)O.

What is the InChIKey of 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid?

The InChIKey is WPRHOKBFRUMJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16-3-6-18(7-4-16)15-31-20-11-19(12-25-13-20)27-9-10-30-22(14-27)21-8-5-17(2)23(26-21)24(28)29/h5,8,11-13,16,18,22H,3-4,6-7,9-10,14-15H2,1-2H3,(H,28,29).

What are the key properties of 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid?

3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid has a molecular weight of 425.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167688820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).