3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide

C17H19FN4O2 — CID 123593181

IUPAC3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
SMILESCc1ccc(Nc2c(C(=O)NN)c3c(c(=O)n2C)CCC3)c(F)c1
InChIInChI=1S/C17H19FN4O2/c1-9-6-7-13(12(18)8-9)20-15-14(16(23)21-19)10-4-3-5-11(10)17(24)22(15)2/h6-8,20H,3-5,19H2,1-2H3,(H,21,23)
InChIKeyHWPHWTRIDIHFLC-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.67
Rot. Bonds3

About 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide

3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide (PubChem CID 123593181) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
PubChem CID123593181
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
SMILESCc1ccc(Nc2c(C(=O)NN)c3c(c(=O)n2C)CCC3)c(F)c1
InChIInChI=1S/C17H19FN4O2/c1-9-6-7-13(12(18)8-9)20-15-14(16(23)21-19)10-4-3-5-11(10)17(24)22(15)2/h6-8,20H,3-5,19H2,1-2H3,(H,21,23)
InChIKeyHWPHWTRIDIHFLC-UHFFFAOYSA-N
XLogP1.67
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 144761820
3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxymethyl)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 123271402
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane
CID 144761812
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 126592205
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
CID 143666971
2-(4-ethynyl-2-fluoroanilino)-N-(2-hydroxyethoxy)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
CID 25124156
6-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-5-methyl-2-(morpholin-4-ylmethyl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123951183
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
CID 86582288
N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
CID 25124822

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide?
The IUPAC name of 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide (CID 123593181) is 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide.
What is the SMILES notation for 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide?
The canonical SMILES for 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide is Cc1ccc(Nc2c(C(=O)NN)c3c(c(=O)n2C)CCC3)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide?
The InChIKey is HWPHWTRIDIHFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-9-6-7-13(12(18)8-9)20-15-14(16(23)21-19)10-4-3-5-11(10)17(24)22(15)2/h6-8,20H,3-5,19H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide?
3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide has a molecular weight of 330.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide is sourced from PubChem (CID 123593181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).