1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide

C14H15N3O2 — CID 42161813

IUPAC1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccccc2)ccc1=O
InChIInChI=1S/C14H15N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,19)
InChIKeyIRVACENLXZZOSD-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.75
Rot. Bonds4

About 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 42161813) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID42161813
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccccc2)ccc1=O
InChIInChI=1S/C14H15N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,19)
InChIKeyIRVACENLXZZOSD-UHFFFAOYSA-N
XLogP0.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51201885
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 121066866
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521
5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623363
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 9465629
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 42161813) is 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide is Cn1nc(C(=O)NCCc2ccccc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is IRVACENLXZZOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,19).
What are the key properties of 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 42161813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).