N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

C22H18FN3O2 — CID 10452086

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(c1cc2ccn(Cc3ccc(F)cc3)c2cn1)N(O)Cc1ccccc1
InChIInChI=1S/C22H18FN3O2/c23-19-8-6-17(7-9-19)14-25-11-10-18-12-20(24-13-21(18)25)22(27)26(28)15-16-4-2-1-3-5-16/h1-13,28H,14-15H2
InChIKeyOJKDCLFAABOBPX-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.26
Rot. Bonds5

About N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 10452086) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID10452086
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(c1cc2ccn(Cc3ccc(F)cc3)c2cn1)N(O)Cc1ccccc1
InChIInChI=1S/C22H18FN3O2/c23-19-8-6-17(7-9-19)14-25-11-10-18-12-20(24-13-21(18)25)22(27)26(28)15-16-4-2-1-3-5-16/h1-13,28H,14-15H2
InChIKeyOJKDCLFAABOBPX-UHFFFAOYSA-N
XLogP4.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.26
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

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CID 9827724
3-Amidinobenzylindole carboxamide 2
CID 9828698
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9914912
3-[(4-Fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 11716564
3-{7-Fluoro-4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-(2-phenylethyl)propanamide
CID 16017974
3-[(4-Fluorophenyl)methyl]-7-hydroxy-1-(3-tetrahydropyran-4-yloxypropyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 53237038
1-[(2,4-Difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid
CID 9948363
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11558926
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[(3-oxo-1-piperazinyl)methyl]-
CID 11683012
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11717135
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 15957047
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,3-[(2-ethoxyethoxy)methyl]-1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-
CID 15957085

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 10452086) is N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is O=C(c1cc2ccn(Cc3ccc(F)cc3)c2cn1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is OJKDCLFAABOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-19-8-6-17(7-9-19)14-25-11-10-18-12-20(24-13-21(18)25)22(27)26(28)15-16-4-2-1-3-5-16/h1-13,28H,14-15H2.
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10452086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).