N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

C16H13N5O2 — CID 121114037

IUPACN-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C16H13N5O2/c1-11(22)12-2-4-13(5-3-12)18-16(23)14-6-7-15(20-19-14)21-9-8-17-10-21/h2-10H,1H3,(H,18,23)
InChIKeyGJGLPGPSMXATGU-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.12
Rot. Bonds4

About N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 121114037) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID121114037
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C16H13N5O2/c1-11(22)12-2-4-13(5-3-12)18-16(23)14-6-7-15(20-19-14)21-9-8-17-10-21/h2-10H,1H3,(H,18,23)
InChIKeyGJGLPGPSMXATGU-UHFFFAOYSA-N
XLogP2.12
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
CID 71791757
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791758
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114202
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
CID 139444254
methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
CID 156578747
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (CID 121114037) is N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is GJGLPGPSMXATGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-11(22)12-2-4-13(5-3-12)18-16(23)14-6-7-15(20-19-14)21-9-8-17-10-21/h2-10H,1H3,(H,18,23).
What are the key properties of N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121114037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).