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

C19H14FN3O2 — CID 3013459

IUPAC9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NO)c1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
InChIKeyADHFMENDOUEJRK-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.50
Rot. Bonds3

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

9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide (PubChem CID 3013459) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
PubChem CID3013459
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NO)c1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
InChIKeyADHFMENDOUEJRK-UHFFFAOYSA-N
XLogP3.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 46704091
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
CID 3013467
3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 89364180
benzyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 11639750
(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 72721233
butyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 23112865
methyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 18412208
9-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]carbazole
CID 102165826
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
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
9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
CID 174930142

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide (CID 3013459) is 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide is O=C(NO)c1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide?
The InChIKey is ADHFMENDOUEJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24).
What are the key properties of 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide?
9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 3013459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).