1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide

C15H17N3O2 — CID 18082602

IUPAC1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H17N3O2/c1-10-6-4-5-7-12(10)11(2)16-15(20)13-8-9-14(19)18(3)17-13/h4-9,11H,1-3H3,(H,16,20)
InChIKeyMSHDMUWBEBNDPW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.58
Rot. Bonds3

About 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 18082602) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID18082602
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H17N3O2/c1-10-6-4-5-7-12(10)11(2)16-15(20)13-8-9-14(19)18(3)17-13/h4-9,11H,1-3H3,(H,16,20)
InChIKeyMSHDMUWBEBNDPW-UHFFFAOYSA-N
XLogP1.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide (CID 18082602) is 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide is Cc1ccccc1C(C)NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is MSHDMUWBEBNDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-4-5-7-12(10)11(2)16-15(20)13-8-9-14(19)18(3)17-13/h4-9,11H,1-3H3,(H,16,20).
What are the key properties of 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18082602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).