5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide

C23H30FN3O2 — CID 123600486

IUPAC5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide
SMILESCCCC1(F)CCC(Nc2ncc(C(=O)NO)cc2CC)(c2ccccc2)CC1
InChIInChI=1S/C23H30FN3O2/c1-3-10-22(24)11-13-23(14-12-22,19-8-6-5-7-9-19)26-20-17(4-2)15-18(16-25-20)21(28)27-29/h5-9,15-16,29H,3-4,10-14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyFXJBBKJIOYHYKO-UHFFFAOYSA-N
MW399.51 g/mol
LogP5.15
Rot. Bonds7

About 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide

5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide (PubChem CID 123600486) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide
PubChem CID123600486
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide
SMILESCCCC1(F)CCC(Nc2ncc(C(=O)NO)cc2CC)(c2ccccc2)CC1
InChIInChI=1S/C23H30FN3O2/c1-3-10-22(24)11-13-23(14-12-22,19-8-6-5-7-9-19)26-20-17(4-2)15-18(16-25-20)21(28)27-29/h5-9,15-16,29H,3-4,10-14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyFXJBBKJIOYHYKO-UHFFFAOYSA-N
XLogP5.15
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-5-iodo-6-[(1-phenylcyclopropyl)amino]pyridine-3-carboxamide
CID 145095862
N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide
CID 145095861
N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 155469324
N-hydroxy-4-[(1-phenylcyclopropyl)amino]benzamide
CID 134492107
N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 118005584
4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide
CID 123139569
N-(1-phenylcyclopropyl)propanamide
CID 110441332
benzyl 4-[[5-(hydroxycarbamoyl)pyrimidin-2-yl]amino]-4-phenylpiperidine-1-carboxylate
CID 118005857
ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
CID 145295764
2-[[1-[2-(3a,7a-dihydro-3H-indol-2-yl)acetyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 123908891
ethane;2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 145295682
2-methylsulfanyl-N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 16672864

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide (CID 123600486) is 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide is CCCC1(F)CCC(Nc2ncc(C(=O)NO)cc2CC)(c2ccccc2)CC1.
What is the InChIKey of 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide?
The InChIKey is FXJBBKJIOYHYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-3-10-22(24)11-13-23(14-12-22,19-8-6-5-7-9-19)26-20-17(4-2)15-18(16-25-20)21(28)27-29/h5-9,15-16,29H,3-4,10-14H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide?
5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide has a molecular weight of 399.51 g/mol, XLogP of 5.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 123600486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).