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

C24H22F2N4O3 — CID 129024210

IUPAC6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1Nc1ccc(F)cc1F
InChIInChI=1S/C24H22F2N4O3/c1-14(27)22-18(15-2-5-17(6-3-15)30-8-10-33-11-9-30)13-21(24(31)32)29-23(22)28-20-7-4-16(25)12-19(20)26/h2-7,12-13,27H,8-11H2,1H3,(H,28,29)(H,31,32)/b27-14+
InChIKeyLRQRGPMZYCMJTJ-MZJWZYIUSA-N
MW452.46 g/mol
LogP4.69
Rot. Bonds6

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

6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid (PubChem CID 129024210) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
PubChem CID129024210
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1Nc1ccc(F)cc1F
InChIInChI=1S/C24H22F2N4O3/c1-14(27)22-18(15-2-5-17(6-3-15)30-8-10-33-11-9-30)13-21(24(31)32)29-23(22)28-20-7-4-16(25)12-19(20)26/h2-7,12-13,27H,8-11H2,1H3,(H,28,29)(H,31,32)/b27-14+
InChIKeyLRQRGPMZYCMJTJ-MZJWZYIUSA-N
XLogP4.69
TPSA98.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.69
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-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid (CID 129024210) is 6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid is [H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1Nc1ccc(F)cc1F.
What is the InChIKey of 6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The InChIKey is LRQRGPMZYCMJTJ-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-14(27)22-18(15-2-5-17(6-3-15)30-8-10-33-11-9-30)13-21(24(31)32)29-23(22)28-20-7-4-16(25)12-19(20)26/h2-7,12-13,27H,8-11H2,1H3,(H,28,29)(H,31,32)/b27-14+.
What are the key properties of 6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid has a molecular weight of 452.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 129024210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).