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

C14H16N4O3 — CID 52906532

IUPAC2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCn1nc(C)ccc1=O
InChIInChI=1S/C14H16N4O3/c1-10-5-6-12(19)18(17-10)9-8-15-13(20)11-4-3-7-16-14(11)21-2/h3-7H,8-9H2,1-2H3,(H,15,20)
InChIKeyRGWXJMOOFWULDG-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.39
Rot. Bonds5

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

2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 52906532) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID52906532
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCn1nc(C)ccc1=O
InChIInChI=1S/C14H16N4O3/c1-10-5-6-12(19)18(17-10)9-8-15-13(20)11-4-3-7-16-14(11)21-2/h3-7H,8-9H2,1-2H3,(H,15,20)
InChIKeyRGWXJMOOFWULDG-UHFFFAOYSA-N
XLogP0.39
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.39
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-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide (CID 52906532) is 2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCCn1nc(C)ccc1=O.
What is the InChIKey of 2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is RGWXJMOOFWULDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-5-6-12(19)18(17-10)9-8-15-13(20)11-4-3-7-16-14(11)21-2/h3-7H,8-9H2,1-2H3,(H,15,20).
What are the key properties of 2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide?
2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 52906532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).