N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C19H16ClN3O3 — CID 108784993

IUPACN-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NCc3ccc(Cl)cc3)c(O)cc2=O)c1
InChIInChI=1S/C19H16ClN3O3/c1-12-3-2-4-15(9-12)23-17(25)10-16(24)18(22-23)19(26)21-11-13-5-7-14(20)8-6-13/h2-10,24H,11H2,1H3,(H,21,26)
InChIKeyFLEFGTJASGVTBE-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.83
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108784993) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108784993
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NCc3ccc(Cl)cc3)c(O)cc2=O)c1
InChIInChI=1S/C19H16ClN3O3/c1-12-3-2-4-15(9-12)23-17(25)10-16(24)18(22-23)19(26)21-11-13-5-7-14(20)8-6-13/h2-10,24H,11H2,1H3,(H,21,26)
InChIKeyFLEFGTJASGVTBE-UHFFFAOYSA-N
XLogP2.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094
N-[(4-chlorophenyl)methyl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553924
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989
4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785145
2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]pentanedioic acid
CID 108785089
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798395
4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 108809251
4-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005067
4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108809187
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 108784993) is N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)NCc3ccc(Cl)cc3)c(O)cc2=O)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is FLEFGTJASGVTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-12-3-2-4-15(9-12)23-17(25)10-16(24)18(22-23)19(26)21-11-13-5-7-14(20)8-6-13/h2-10,24H,11H2,1H3,(H,21,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108784993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).