6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid

C24H23ClN4O3 — CID 145290475

IUPAC6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C24H23ClN4O3/c1-15(26)22-20(16-5-7-19(8-6-16)29-9-11-32-12-10-29)14-21(24(30)31)28-23(22)27-18-4-2-3-17(25)13-18/h2-8,13-14,26H,9-12H2,1H3,(H,27,28)(H,30,31)/b26-15+
InChIKeyZAEIQDQJMKGNEZ-CVKSISIWSA-N
MW450.93 g/mol
LogP5.07
Rot. Bonds6

About 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid

6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid (PubChem CID 145290475) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
PubChem CID145290475
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C24H23ClN4O3/c1-15(26)22-20(16-5-7-19(8-6-16)29-9-11-32-12-10-29)14-21(24(30)31)28-23(22)27-18-4-2-3-17(25)13-18/h2-8,13-14,26H,9-12H2,1H3,(H,27,28)(H,30,31)/b26-15+
InChIKeyZAEIQDQJMKGNEZ-CVKSISIWSA-N
XLogP5.07
TPSA98.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid
CID 129023646
6-anilino-4-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-ethanimidoylpyridine-2-carboxylic acid
CID 129024070
6-anilino-5-[C-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxycarbonimidoyl]-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
CID 129033704
ethyl 6-anilino-4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-5-ethanimidoylpyridine-2-carboxylate
CID 129033707
ethyl 6-(3,5-difluoroanilino)-5-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylate
CID 129033384
4-[4-[2-methoxyethyl(methyl)amino]phenyl]-5-(2-methylpropanimidoyl)-6-(3-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 145290695
[3-ethanimidoyl-6-ethoxycarbonyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-2-pyridinyl]-phenylazanium
CID 145290249
6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 129024212
N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
6-(cyclohexylamino)-5-(2-methylpropanimidoyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyridine-2-carboxylic acid
CID 129023727
1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743328
6-anilino-4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-5-(3-methylcyclobutanecarboximidoyl)pyridine-2-carboxylic acid
CID 145290543

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid (CID 145290475) is 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid is [H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=O)O)nc1Nc1cccc(Cl)c1.
What is the InChIKey of 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
The InChIKey is ZAEIQDQJMKGNEZ-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-15(26)22-20(16-5-7-19(8-6-16)29-9-11-32-12-10-29)14-21(24(30)31)28-23(22)27-18-4-2-3-17(25)13-18/h2-8,13-14,26H,9-12H2,1H3,(H,27,28)(H,30,31)/b26-15+.
What are the key properties of 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid?
6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid has a molecular weight of 450.93 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 145290475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).