1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide

C16H13F2N3O2 — CID 10064390

IUPAC1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C16H13F2N3O2/c1-20(23)16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8,23H,9H2,1H3
InChIKeyQODSNKCCORKMJS-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.82
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 10064390) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID10064390
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C16H13F2N3O2/c1-20(23)16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8,23H,9H2,1H3
InChIKeyQODSNKCCORKMJS-UHFFFAOYSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.82
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'}

Analyze 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide 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

FG-7142
CID 4375
3-[(4-Fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 11716564
3-[(4-Fluorophenyl)methyl]-7-hydroxy-1-(3-hydroxy-3-methyl-butyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 53237036
3-[(4-Fluorophenyl)methyl]-7-hydroxy-1-(3,3,3-trifluoropropyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 53237040
8-Fluoro-5-methyl-3-(pyridin-2-ylmethyl)pyrimido[5,4-b]indol-4-one
CID 1854647
(3-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322044
(2-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322045
N-{[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene}hydroxylamine
CID 6904896
(1-Methyl-1h-indol-2-yl)(4-pyridinyl)methanone
CID 289999
1-[(2,4-Difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid
CID 9948363
1-(4-Fluorobenzyl)-N-hydroxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 10040375
1-(4-fluorobenzyl)-N-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 10062469

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 10064390) is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is CN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is QODSNKCCORKMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-20(23)16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8,23H,9H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10064390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).