N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide

C17H16ClN5O — CID 166181539

IUPACN-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C17H16ClN5O/c18-14-5-3-13(4-6-14)2-1-9-20-17(24)15-7-8-16(22-21-15)23-11-10-19-12-23/h3-8,10-12H,1-2,9H2,(H,20,24)
InChIKeySZVPLSHCWJLFKJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.68
Rot. Bonds6

About N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide

N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 166181539) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID166181539
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C17H16ClN5O/c18-14-5-3-13(4-6-14)2-1-9-20-17(24)15-7-8-16(22-21-15)23-11-10-19-12-23/h3-8,10-12H,1-2,9H2,(H,20,24)
InChIKeySZVPLSHCWJLFKJ-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
CID 121114123
N-(cyclobutylmethyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 51107519
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-[3-[3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxycarbonylphenyl]propyl]benzoic acid
CID 167013362
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
CID 139444254
6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350
N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116807
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide (CID 166181539) is N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide is O=C(NCCCc1ccc(Cl)cc1)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is SZVPLSHCWJLFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-14-5-3-13(4-6-14)2-1-9-20-17(24)15-7-8-16(22-21-15)23-11-10-19-12-23/h3-8,10-12H,1-2,9H2,(H,20,24).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide?
N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 166181539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).