1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide

C20H22N4O2 — CID 51193079

IUPAC1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NC(C)c3cccnc3)CCC2=O)c1
InChIInChI=1S/C20H22N4O2/c1-13-6-7-14(2)18(11-13)24-19(25)9-8-17(23-24)20(26)22-15(3)16-5-4-10-21-12-16/h4-7,10-12,15H,8-9H2,1-3H3,(H,22,26)
InChIKeyZBPAVSGUVUXNGS-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.06
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 51193079) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID51193079
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NC(C)c3cccnc3)CCC2=O)c1
InChIInChI=1S/C20H22N4O2/c1-13-6-7-14(2)18(11-13)24-19(25)9-8-17(23-24)20(26)22-15(3)16-5-4-10-21-12-16/h4-7,10-12,15H,8-9H2,1-3H3,(H,22,26)
InChIKeyZBPAVSGUVUXNGS-UHFFFAOYSA-N
XLogP3.06
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide (CID 51193079) is 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)NC(C)c3cccnc3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZBPAVSGUVUXNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-6-7-14(2)18(11-13)24-19(25)9-8-17(23-24)20(26)22-15(3)16-5-4-10-21-12-16/h4-7,10-12,15H,8-9H2,1-3H3,(H,22,26).
What are the key properties of 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 51193079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).