1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide

C18H15FN4O2 — CID 17406348

IUPAC1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1
InChIInChI=1S/C18H15FN4O2/c1-11-7-8-20-16(9-11)21-18(25)17-15(24)10-12(2)23(22-17)14-6-4-3-5-13(14)19/h3-10H,1-2H3,(H,20,21,25)
InChIKeyMPSPIWANEXXGFM-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide (PubChem CID 17406348) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide
PubChem CID17406348
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1
InChIInChI=1S/C18H15FN4O2/c1-11-7-8-20-16(9-11)21-18(25)17-15(24)10-12(2)23(22-17)14-6-4-3-5-13(14)19/h3-10H,1-2H3,(H,20,21,25)
InChIKeyMPSPIWANEXXGFM-UHFFFAOYSA-N
XLogP2.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide (CID 17406348) is 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide is Cc1ccnc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is MPSPIWANEXXGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11-7-8-20-16(9-11)21-18(25)17-15(24)10-12(2)23(22-17)14-6-4-3-5-13(14)19/h3-10H,1-2H3,(H,20,21,25).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-N-(4-methyl-2-pyridinyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 17406348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).