5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid

C23H26FN3O4 — CID 129024316

IUPAC5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
SMILES[H]/N=C(/c1c(OCC2CCOCC2)cc(C(=O)O)nc1Nc1ccc(F)cc1)C1CCC1
InChIInChI=1S/C23H26FN3O4/c24-16-4-6-17(7-5-16)26-22-20(21(25)15-2-1-3-15)19(12-18(27-22)23(28)29)31-13-14-8-10-30-11-9-14/h4-7,12,14-15,25H,1-3,8-11,13H2,(H,26,27)(H,28,29)/b25-21+
InChIKeyZASXYJRKIKQAHM-NJNXFGOHSA-N
MW427.48 g/mol
LogP4.64
Rot. Bonds8

About 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid

5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid (PubChem CID 129024316) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
PubChem CID129024316
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
SMILES[H]/N=C(/c1c(OCC2CCOCC2)cc(C(=O)O)nc1Nc1ccc(F)cc1)C1CCC1
InChIInChI=1S/C23H26FN3O4/c24-16-4-6-17(7-5-16)26-22-20(21(25)15-2-1-3-15)19(12-18(27-22)23(28)29)31-13-14-8-10-30-11-9-14/h4-7,12,14-15,25H,1-3,8-11,13H2,(H,26,27)(H,28,29)/b25-21+
InChIKeyZASXYJRKIKQAHM-NJNXFGOHSA-N
XLogP4.64
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023914
6-anilino-5-(cyclobutanecarboximidoyl)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]pyridine-2-carboxylic acid
CID 129023897
6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)-4-(3-morpholin-4-ylpropoxy)pyridine-2-carboxylic acid
CID 145290677
tert-butyl 5-[3-(cyclobutanecarboximidoyl)-2-(4-fluoroanilino)-6-methoxycarbonyl-4-pyridinyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxylate
CID 145290125
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
3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid
CID 140862942
ethyl 6-[(2-chloro-6-methyl-4-pyridinyl)amino]-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 129024227
1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566
5-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]-4-methylpyridine-3-carboxylic acid
CID 167948143
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
5-fluoro-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 63667463

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid (CID 129024316) is 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid is [H]/N=C(/c1c(OCC2CCOCC2)cc(C(=O)O)nc1Nc1ccc(F)cc1)C1CCC1.
What is the InChIKey of 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is ZASXYJRKIKQAHM-NJNXFGOHSA-N. The full InChI is InChI=1S/C23H26FN3O4/c24-16-4-6-17(7-5-16)26-22-20(21(25)15-2-1-3-15)19(12-18(27-22)23(28)29)31-13-14-8-10-30-11-9-14/h4-7,12,14-15,25H,1-3,8-11,13H2,(H,26,27)(H,28,29)/b25-21+.
What are the key properties of 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid?
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 427.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 129024316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).