6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid

C24H30N4O3 — CID 129023561

IUPAC6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1NC1CCCCC1
InChIInChI=1S/C24H30N4O3/c1-16(25)22-20(17-7-9-19(10-8-17)28-11-13-31-14-12-28)15-21(24(29)30)27-23(22)26-18-5-3-2-4-6-18/h7-10,15,18,25H,2-6,11-14H2,1H3,(H,26,27)(H,29,30)/b25-16+
InChIKeyUWQWLWIAZOSOGW-PCLIKHOPSA-N
MW422.53 g/mol
LogP4.42
Rot. Bonds6

About 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid

6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid (PubChem CID 129023561) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
PubChem CID129023561
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1NC1CCCCC1
InChIInChI=1S/C24H30N4O3/c1-16(25)22-20(17-7-9-19(10-8-17)28-11-13-31-14-12-28)15-21(24(29)30)27-23(22)26-18-5-3-2-4-6-18/h7-10,15,18,25H,2-6,11-14H2,1H3,(H,26,27)(H,29,30)/b25-16+
InChIKeyUWQWLWIAZOSOGW-PCLIKHOPSA-N
XLogP4.42
TPSA98.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid (CID 129023561) is 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid is [H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1NC1CCCCC1.
What is the InChIKey of 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The InChIKey is UWQWLWIAZOSOGW-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16(25)22-20(17-7-9-19(10-8-17)28-11-13-31-14-12-28)15-21(24(29)30)27-23(22)26-18-5-3-2-4-6-18/h7-10,15,18,25H,2-6,11-14H2,1H3,(H,26,27)(H,29,30)/b25-16+.
What are the key properties of 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid has a molecular weight of 422.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 129023561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).