9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide

C20H16FN3O2 — CID 3013467

IUPAC9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
SMILESCN(O)C(=O)c1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C20H16FN3O2/c1-23(26)20(25)17-10-16-15-4-2-3-5-18(15)24(19(16)11-22-17)12-13-6-8-14(21)9-7-13/h2-11,26H,12H2,1H3
InChIKeyRYZKQKZUMWOKKS-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.84
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide

9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide (PubChem CID 3013467) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
PubChem CID3013467
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
SMILESCN(O)C(=O)c1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C20H16FN3O2/c1-23(26)20(25)17-10-16-15-4-2-3-5-18(15)24(19(16)11-22-17)12-13-6-8-14(21)9-7-13/h2-11,26H,12H2,1H3
InChIKeyRYZKQKZUMWOKKS-UHFFFAOYSA-N
XLogP3.84
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
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

9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
CID 3013459
9-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 46704091
1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 52947619
benzyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 11639750
butyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 23112865
3-[(3-ethylsulfonylpyrrolidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 143197158
(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 72721233
9-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]carbazole
CID 102165826
N-benzyl-2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892126
methyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 18412208
azane;1-[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-2-[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]heptan-2-amine
CID 175008176
ethyl 9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 122187130

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide (CID 3013467) is 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide is CN(O)C(=O)c1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide?
The InChIKey is RYZKQKZUMWOKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-23(26)20(25)17-10-16-15-4-2-3-5-18(15)24(19(16)11-22-17)12-13-6-8-14(21)9-7-13/h2-11,26H,12H2,1H3.
What are the key properties of 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide?
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 3013467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).