6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane

C22H30N4O3 — CID 145290098

IUPAC6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane
SMILESCCOC.[H]/N=C(\C)c1c(N2CCC(O)CC2)cc(C=O)nc1Nc1ccccc1
InChIInChI=1S/C19H22N4O2.C3H8O/c1-13(20)18-17(23-9-7-16(25)8-10-23)11-15(12-24)22-19(18)21-14-5-3-2-4-6-14;1-3-4-2/h2-6,11-12,16,20,25H,7-10H2,1H3,(H,21,22);3H2,1-2H3/b20-13+;
InChIKeyXDHKOHHJMGMHCA-UNUAAEKOSA-N
MW398.51 g/mol
LogP3.64
Rot. Bonds6

About 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane

6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane (PubChem CID 145290098) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane
PubChem CID145290098
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane
SMILESCCOC.[H]/N=C(\C)c1c(N2CCC(O)CC2)cc(C=O)nc1Nc1ccccc1
InChIInChI=1S/C19H22N4O2.C3H8O/c1-13(20)18-17(23-9-7-16(25)8-10-23)11-15(12-24)22-19(18)21-14-5-3-2-4-6-14;1-3-4-2/h2-6,11-12,16,20,25H,7-10H2,1H3,(H,21,22);3H2,1-2H3/b20-13+;
InChIKeyXDHKOHHJMGMHCA-UNUAAEKOSA-N
XLogP3.64
TPSA98.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde
CID 155030047
methyl 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-methoxypiperidin-1-yl)pyridine-2-carboxylate
CID 129024037
6-anilino-4-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-ethanimidoylpyridine-2-carboxylic acid
CID 129024070
6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-fluoro-4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 145290461
4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane
CID 145290101
ethyl 6-anilino-4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-5-ethanimidoylpyridine-2-carboxylate
CID 129033707
6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023938
5-(cyclobutanecarboximidoyl)-6-[(2-ethoxypyrimidin-4-yl)amino]-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde;methanol
CID 145290649
6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde
CID 145290719
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023914
ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-(3-methylanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
CID 129024045
2-anilino-6-bromo-3-ethanimidoylpyridine-4-carboxylic acid
CID 145290176

Frequently Asked Questions

What is the IUPAC name of 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane?
The IUPAC name of 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane (CID 145290098) is 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane.
What is the SMILES notation for 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane?
The canonical SMILES for 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane is CCOC.[H]/N=C(\C)c1c(N2CCC(O)CC2)cc(C=O)nc1Nc1ccccc1.
What is the InChIKey of 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane?
The InChIKey is XDHKOHHJMGMHCA-UNUAAEKOSA-N. The full InChI is InChI=1S/C19H22N4O2.C3H8O/c1-13(20)18-17(23-9-7-16(25)8-10-23)11-15(12-24)22-19(18)21-14-5-3-2-4-6-14;1-3-4-2/h2-6,11-12,16,20,25H,7-10H2,1H3,(H,21,22);3H2,1-2H3/b20-13+;.
What are the key properties of 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane?
6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane has a molecular weight of 398.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane is sourced from PubChem (CID 145290098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).