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

C17H16N4O2 — CID 18107200

IUPACN-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)n1
InChIInChI=1S/C17H16N4O2/c1-12-6-5-9-15(18-12)19-17(23)14-10-11-16(22)21(20-14)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19,23)
InChIKeyINIQNBKTMRQNNS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.51
Rot. Bonds3

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

N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 18107200) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID18107200
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)n1
InChIInChI=1S/C17H16N4O2/c1-12-6-5-9-15(18-12)19-17(23)14-10-11-16(22)21(20-14)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19,23)
InChIKeyINIQNBKTMRQNNS-UHFFFAOYSA-N
XLogP2.51
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 18107200) is N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is INIQNBKTMRQNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-6-5-9-15(18-12)19-17(23)14-10-11-16(22)21(20-14)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 18107200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).