1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C18H18N4O2 — CID 60555152

IUPAC1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C18H18N4O2/c1-13-9-10-19-16(11-13)20-18(24)15-7-8-17(23)22(21-15)12-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H,19,20,24)
InChIKeyTWQZTPCUNQHODM-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.51
Rot. Bonds4

About 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60555152) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID60555152
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C18H18N4O2/c1-13-9-10-19-16(11-13)20-18(24)15-7-8-17(23)22(21-15)12-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H,19,20,24)
InChIKeyTWQZTPCUNQHODM-UHFFFAOYSA-N
XLogP2.51
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 60555152) is 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccnc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1.
What is the InChIKey of 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is TWQZTPCUNQHODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-9-10-19-16(11-13)20-18(24)15-7-8-17(23)22(21-15)12-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H,19,20,24).
What are the key properties of 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60555152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).