N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide

C18H17FN4O2 — CID 10132032

IUPACN-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide
SMILESCC1CC(=O)N(C)N=C1c1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C18H17FN4O2/c1-11-10-16(24)23(2)22-17(11)12-6-8-13(9-7-12)20-18(25)14-4-3-5-15(19)21-14/h3-9,11H,10H2,1-2H3,(H,20,25)
InChIKeyPRQBBNTZVGCJSS-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.68
Rot. Bonds3

About N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide

N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide (PubChem CID 10132032) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide
PubChem CID10132032
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide
SMILESCC1CC(=O)N(C)N=C1c1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C18H17FN4O2/c1-11-10-16(24)23(2)22-17(11)12-6-8-13(9-7-12)20-18(25)14-4-3-5-15(19)21-14/h3-9,11H,10H2,1-2H3,(H,20,25)
InChIKeyPRQBBNTZVGCJSS-UHFFFAOYSA-N
XLogP2.68
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one
CID 20569972
6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 115497261
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 134515911
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 115497964
6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 115497288
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
CID 106911689
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide (CID 10132032) is N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide is CC1CC(=O)N(C)N=C1c1ccc(NC(=O)c2cccc(F)n2)cc1.
What is the InChIKey of N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is PRQBBNTZVGCJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-10-16(24)23(2)22-17(11)12-6-8-13(9-7-12)20-18(25)14-4-3-5-15(19)21-14/h3-9,11H,10H2,1-2H3,(H,20,25).
What are the key properties of N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide?
N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 10132032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).