2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide

C18H18FN3O2 — CID 123585305

IUPAC2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1C(c2cnnc(C3CC3)c2)C1(F)C(=O)NO
InChIInChI=1S/C18H18FN3O2/c1-10-4-2-3-5-13(10)16-15(18(16,19)17(23)22-24)12-8-14(11-6-7-11)21-20-9-12/h2-5,8-9,11,15-16,24H,6-7H2,1H3,(H,22,23)
InChIKeySXSFTCOSIXYIRJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.76
Rot. Bonds4

About 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide

2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 123585305) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID123585305
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1C(c2cnnc(C3CC3)c2)C1(F)C(=O)NO
InChIInChI=1S/C18H18FN3O2/c1-10-4-2-3-5-13(10)16-15(18(16,19)17(23)22-24)12-8-14(11-6-7-11)21-20-9-12/h2-5,8-9,11,15-16,24H,6-7H2,1H3,(H,22,23)
InChIKeySXSFTCOSIXYIRJ-UHFFFAOYSA-N
XLogP2.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.76
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'}

Analyze 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide (CID 123585305) is 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccccc1C1C(c2cnnc(C3CC3)c2)C1(F)C(=O)NO.
What is the InChIKey of 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SXSFTCOSIXYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-10-4-2-3-5-13(10)16-15(18(16,19)17(23)22-24)12-8-14(11-6-7-11)21-20-9-12/h2-5,8-9,11,15-16,24H,6-7H2,1H3,(H,22,23).
What are the key properties of 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 123585305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).