2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide

C18H16N4O3 — CID 71805052

IUPAC2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccccc1-c1ccc(=O)n(C)n1
InChIInChI=1S/C18H16N4O3/c1-22-16(23)10-9-15(21-22)12-6-3-4-8-14(12)20-17(24)13-7-5-11-19-18(13)25-2/h3-11H,1-2H3,(H,20,24)
InChIKeyBQOCLWYBGGJSRG-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.10
Rot. Bonds4

About 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide

2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 71805052) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID71805052
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccccc1-c1ccc(=O)n(C)n1
InChIInChI=1S/C18H16N4O3/c1-22-16(23)10-9-15(21-22)12-6-3-4-8-14(12)20-17(24)13-7-5-11-19-18(13)25-2/h3-11H,1-2H3,(H,20,24)
InChIKeyBQOCLWYBGGJSRG-UHFFFAOYSA-N
XLogP2.10
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide (CID 71805052) is 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccccc1-c1ccc(=O)n(C)n1.
What is the InChIKey of 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is BQOCLWYBGGJSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-22-16(23)10-9-15(21-22)12-6-3-4-8-14(12)20-17(24)13-7-5-11-19-18(13)25-2/h3-11H,1-2H3,(H,20,24).
What are the key properties of 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide?
2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71805052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).