N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride

C16H18ClFN4O2 — CID 119613631

IUPACN-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C16H17FN4O2.ClH/c17-11-3-5-12(6-4-11)21-15(22)8-7-13(20-21)16(23)19-14(9-18)10-1-2-10;/h3-8,10,14H,1-2,9,18H2,(H,19,23);1H
InChIKeyPFWLODBWSRSWAV-UHFFFAOYSA-N
MW352.80 g/mol
LogP1.26
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride (PubChem CID 119613631) has the molecular formula C16H18ClFN4O2 and a molecular weight of 352.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
PubChem CID119613631
Molecular FormulaC16H18ClFN4O2
Molecular Weight352.80 g/mol
Exact Mass352.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C16H17FN4O2.ClH/c17-11-3-5-12(6-4-11)21-15(22)8-7-13(20-21)16(23)19-14(9-18)10-1-2-10;/h3-8,10,14H,1-2,9,18H2,(H,19,23);1H
InChIKeyPFWLODBWSRSWAV-UHFFFAOYSA-N
XLogP1.26
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 119614350
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 119616534
N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119590449
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119617682
(2S,3S)-2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119194132
1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120597820
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
CID 55634816
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119614994

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride (CID 119613631) is N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride?
The InChIKey is PFWLODBWSRSWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2.ClH/c17-11-3-5-12(6-4-11)21-15(22)8-7-13(20-21)16(23)19-14(9-18)10-1-2-10;/h3-8,10,14H,1-2,9,18H2,(H,19,23);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride has a molecular weight of 352.80 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119613631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).