N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C21H20N6O2 — CID 56745049

IUPACN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(-c2nc(CNC(=O)C3=NNC(=O)CC3)[nH]c2-c2ccccn2)cc1
InChIInChI=1S/C21H20N6O2/c1-13-5-7-14(8-6-13)19-20(15-4-2-3-11-22-15)25-17(24-19)12-23-21(29)16-9-10-18(28)27-26-16/h2-8,11H,9-10,12H2,1H3,(H,23,29)(H,24,25)(H,27,28)
InChIKeyOQENURHREPHBOU-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.33
Rot. Bonds5

About N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 56745049) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID56745049
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(-c2nc(CNC(=O)C3=NNC(=O)CC3)[nH]c2-c2ccccn2)cc1
InChIInChI=1S/C21H20N6O2/c1-13-5-7-14(8-6-13)19-20(15-4-2-3-11-22-15)25-17(24-19)12-23-21(29)16-9-10-18(28)27-26-16/h2-8,11H,9-10,12H2,1H3,(H,23,29)(H,24,25)(H,27,28)
InChIKeyOQENURHREPHBOU-UHFFFAOYSA-N
XLogP2.33
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 56745049) is N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1ccc(-c2nc(CNC(=O)C3=NNC(=O)CC3)[nH]c2-c2ccccn2)cc1.
What is the InChIKey of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is OQENURHREPHBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-5-7-14(8-6-13)19-20(15-4-2-3-11-22-15)25-17(24-19)12-23-21(29)16-9-10-18(28)27-26-16/h2-8,11H,9-10,12H2,1H3,(H,23,29)(H,24,25)(H,27,28).
What are the key properties of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 56745049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).