methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate

C17H18FN3O2 — CID 133353653

IUPACmethyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCC2c2ccc(F)cc2)nn1
InChIInChI=1S/C17H18FN3O2/c1-23-17(22)15-9-10-16(21-20-15)19-14-4-2-3-13(14)11-5-7-12(18)8-6-11/h5-10,13-14H,2-4H2,1H3,(H,19,21)
InChIKeyCXADZORNXBGMRZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.15
Rot. Bonds4

About methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate

methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate (PubChem CID 133353653) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
PubChem CID133353653
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Namemethyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCC2c2ccc(F)cc2)nn1
InChIInChI=1S/C17H18FN3O2/c1-23-17(22)15-9-10-16(21-20-15)19-14-4-2-3-13(14)11-5-7-12(18)8-6-11/h5-10,13-14H,2-4H2,1H3,(H,19,21)
InChIKeyCXADZORNXBGMRZ-UHFFFAOYSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
methyl 6-[[(2R,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]pyridazine-3-carboxylate
CID 100693245
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
CID 79363165
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
CID 133353695
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
methyl 6-[(3,3-dimethylcyclopentyl)amino]pyridazine-3-carboxylate
CID 115881025
N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
CID 133422244
6-[(2,3-dimethylcyclohexyl)amino]pyridazine-3-carboxamide
CID 79771125

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate (CID 133353653) is methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CCCC2c2ccc(F)cc2)nn1.
What is the InChIKey of methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate?
The InChIKey is CXADZORNXBGMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-17(22)15-9-10-16(21-20-15)19-14-4-2-3-13(14)11-5-7-12(18)8-6-11/h5-10,13-14H,2-4H2,1H3,(H,19,21).
What are the key properties of methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate?
methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 133353653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).