N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide

C22H32N6O — CID 109115996

IUPACN-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(C(=O)NCCCN(C)C)nn3)CC2)c1C
InChIInChI=1S/C22H32N6O/c1-17-7-5-8-20(18(17)2)27-13-15-28(16-14-27)21-10-9-19(24-25-21)22(29)23-11-6-12-26(3)4/h5,7-10H,6,11-16H2,1-4H3,(H,23,29)
InChIKeyBQTTZPDBYMDVHE-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.10
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 109115996) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID109115996
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(C(=O)NCCCN(C)C)nn3)CC2)c1C
InChIInChI=1S/C22H32N6O/c1-17-7-5-8-20(18(17)2)27-13-15-28(16-14-27)21-10-9-19(24-25-21)22(29)23-11-6-12-26(3)4/h5,7-10H,6,11-16H2,1-4H3,(H,23,29)
InChIKeyBQTTZPDBYMDVHE-UHFFFAOYSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109153888
ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109115372
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167023
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342971
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 109115996) is N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide is Cc1cccc(N2CCN(c3ccc(C(=O)NCCCN(C)C)nn3)CC2)c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is BQTTZPDBYMDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-17-7-5-8-20(18(17)2)27-13-15-28(16-14-27)21-10-9-19(24-25-21)22(29)23-11-6-12-26(3)4/h5,7-10H,6,11-16H2,1-4H3,(H,23,29).
What are the key properties of N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 109115996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).