1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide

C14H15N3O2 — CID 7916761

IUPAC1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C14H15N3O2/c1-10-3-5-11(6-4-10)9-15-14(19)12-7-8-13(18)17(2)16-12/h3-8H,9H2,1-2H3,(H,15,19)
InChIKeyQQYUKLDGYRXYFV-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.02
Rot. Bonds3

About 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 7916761) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID7916761
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C14H15N3O2/c1-10-3-5-11(6-4-10)9-15-14(19)12-7-8-13(18)17(2)16-12/h3-8H,9H2,1-2H3,(H,15,19)
InChIKeyQQYUKLDGYRXYFV-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 7916761) is 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is QQYUKLDGYRXYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-3-5-11(6-4-10)9-15-14(19)12-7-8-13(18)17(2)16-12/h3-8H,9H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 7916761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).