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

C18H15FN4O2 — CID 27376541

IUPAC1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)n1
InChIInChI=1S/C18H15FN4O2/c1-12-3-2-4-16(20-12)21-18(25)15-9-10-17(24)23(22-15)11-13-5-7-14(19)8-6-13/h2-10H,11H2,1H3,(H,20,21,25)
InChIKeyRSMFBGFSOKGQSJ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.39
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide (PubChem CID 27376541) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
PubChem CID27376541
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)n1
InChIInChI=1S/C18H15FN4O2/c1-12-3-2-4-16(20-12)21-18(25)15-9-10-17(24)23(22-15)11-13-5-7-14(19)8-6-13/h2-10H,11H2,1H3,(H,20,21,25)
InChIKeyRSMFBGFSOKGQSJ-UHFFFAOYSA-N
XLogP2.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide (CID 27376541) is 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is RSMFBGFSOKGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-12-3-2-4-16(20-12)21-18(25)15-9-10-17(24)23(22-15)11-13-5-7-14(19)8-6-13/h2-10H,11H2,1H3,(H,20,21,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27376541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).