N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide

C19H13FN4O3 — CID 53157827

IUPACN-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)Nc2ccc(C#N)cc2)nn1-c1cccc(F)c1
InChIInChI=1S/C19H13FN4O3/c1-27-17-10-16(25)18(23-24(17)15-4-2-3-13(20)9-15)19(26)22-14-7-5-12(11-21)6-8-14/h2-10H,1H3,(H,22,26)
InChIKeyQMXIRYVEINHYPY-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.50
Rot. Bonds4

About N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide

N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide (PubChem CID 53157827) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
PubChem CID53157827
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC NameN-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)Nc2ccc(C#N)cc2)nn1-c1cccc(F)c1
InChIInChI=1S/C19H13FN4O3/c1-27-17-10-16(25)18(23-24(17)15-4-2-3-13(20)9-15)19(26)22-14-7-5-12(11-21)6-8-14/h2-10H,1H3,(H,22,26)
InChIKeyQMXIRYVEINHYPY-UHFFFAOYSA-N
XLogP2.50
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157656
N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157720
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 49182482
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
N-[4-(cyanomethyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27163514
N-[4-(2-cyanopropan-2-yl)phenyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32744095
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 53157537

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide (CID 53157827) is N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide is COc1cc(=O)c(C(=O)Nc2ccc(C#N)cc2)nn1-c1cccc(F)c1.
What is the InChIKey of N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The InChIKey is QMXIRYVEINHYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c1-27-17-10-16(25)18(23-24(17)15-4-2-3-13(20)9-15)19(26)22-14-7-5-12(11-21)6-8-14/h2-10H,1H3,(H,22,26).
What are the key properties of N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53157827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).