2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C17H17FN4O2 — CID 142476362

IUPAC2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCONC(=O)c1c(Nc2ccc(C)cc2F)n(C)c2ncccc12
InChIInChI=1S/C17H17FN4O2/c1-10-6-7-13(12(18)9-10)20-16-14(17(23)21-24-3)11-5-4-8-19-15(11)22(16)2/h4-9,20H,1-3H3,(H,21,23)
InChIKeyIFUJDMOTCYRDTJ-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.06
Rot. Bonds4

About 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 142476362) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID142476362
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCONC(=O)c1c(Nc2ccc(C)cc2F)n(C)c2ncccc12
InChIInChI=1S/C17H17FN4O2/c1-10-6-7-13(12(18)9-10)20-16-14(17(23)21-24-3)11-5-4-8-19-15(11)22(16)2/h4-9,20H,1-3H3,(H,21,23)
InChIKeyIFUJDMOTCYRDTJ-UHFFFAOYSA-N
XLogP3.06
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-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

2-(2-fluoro-4-methylanilino)-1-methylpyrrolo[2,3-b]pyridine-3-carbonyl chloride
CID 142476391
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxy]-2-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 162713257
2-(2-fluoro-4-iodoanilino)-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 177289268
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 146585149
8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane
CID 144761831
N-(2-fluoro-4-methylphenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726909
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
2-(2-fluoro-4-methylanilino)-1-methyl-4-[(4-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
CID 144833184
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 142476362) is 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is CONC(=O)c1c(Nc2ccc(C)cc2F)n(C)c2ncccc12.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is IFUJDMOTCYRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10-6-7-13(12(18)9-10)20-16-14(17(23)21-24-3)11-5-4-8-19-15(11)22(16)2/h4-9,20H,1-3H3,(H,21,23).
What are the key properties of 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 142476362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).