N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide

C14H15N3O2 — CID 18588451

IUPACN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C14H15N3O2/c1-3-13(18)15-11-6-4-5-10(9-11)12-7-8-14(19)17(2)16-12/h4-9H,3H2,1-2H3,(H,15,18)
InChIKeyKSFLHKCZEHZYGK-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.80
Rot. Bonds3

About N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide

N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide (PubChem CID 18588451) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
PubChem CID18588451
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C14H15N3O2/c1-3-13(18)15-11-6-4-5-10(9-11)12-7-8-14(19)17(2)16-12/h4-9H,3H2,1-2H3,(H,15,18)
InChIKeyKSFLHKCZEHZYGK-UHFFFAOYSA-N
XLogP1.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide?
The IUPAC name of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide (CID 18588451) is N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide is CCC(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1.
What is the InChIKey of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide?
The InChIKey is KSFLHKCZEHZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-13(18)15-11-6-4-5-10(9-11)12-7-8-14(19)17(2)16-12/h4-9H,3H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide?
N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide has a molecular weight of 257.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 18588451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).