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

C21H18N6O — CID 56759542

IUPACN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide
SMILESCc1ccc(-c2nc(CNC(=O)c3cccnn3)[nH]c2-c2ccccn2)cc1
InChIInChI=1S/C21H18N6O/c1-14-7-9-15(10-8-14)19-20(16-5-2-3-11-22-16)26-18(25-19)13-23-21(28)17-6-4-12-24-27-17/h2-12H,13H2,1H3,(H,23,28)(H,25,26)
InChIKeyKMYRGUWHHJBJOX-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.17
Rot. Bonds5

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

N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide (PubChem CID 56759542) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide
PubChem CID56759542
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC NameN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide
SMILESCc1ccc(-c2nc(CNC(=O)c3cccnn3)[nH]c2-c2ccccn2)cc1
InChIInChI=1S/C21H18N6O/c1-14-7-9-15(10-8-14)19-20(16-5-2-3-11-22-16)26-18(25-19)13-23-21(28)17-6-4-12-24-27-17/h2-12H,13H2,1H3,(H,23,28)(H,25,26)
InChIKeyKMYRGUWHHJBJOX-UHFFFAOYSA-N
XLogP3.17
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-pyridin-2-ylacetamide
CID 56740363
(2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 154924799
N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide
CID 56759548
N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide
CID 56747020
N-propylpyridazine-3-carboxamide
CID 89418818
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-benzoylbenzamide
CID 10186138
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714
N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 110851460
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide
CID 110742443
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide (CID 56759542) is N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide is Cc1ccc(-c2nc(CNC(=O)c3cccnn3)[nH]c2-c2ccccn2)cc1.
What is the InChIKey of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is KMYRGUWHHJBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-14-7-9-15(10-8-14)19-20(16-5-2-3-11-22-16)26-18(25-19)13-23-21(28)17-6-4-12-24-27-17/h2-12H,13H2,1H3,(H,23,28)(H,25,26).
What are the key properties of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide?
N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 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]pyridazine-3-carboxamide is sourced from PubChem (CID 56759542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).