N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide

C18H23N5O — CID 109112406

IUPACN-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)NC3CCCC3)nn2)cc1
InChIInChI=1S/C18H23N5O/c1-23(2)15-9-7-14(8-10-15)19-17-12-11-16(21-22-17)18(24)20-13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyGMKMNMWCHKOWLJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide

N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide (PubChem CID 109112406) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
PubChem CID109112406
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)NC3CCCC3)nn2)cc1
InChIInChI=1S/C18H23N5O/c1-23(2)15-9-7-14(8-10-15)19-17-12-11-16(21-22-17)18(24)20-13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyGMKMNMWCHKOWLJ-UHFFFAOYSA-N
XLogP2.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
CID 109179984
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
N-cyclopentyl-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109298177
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110178
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide (CID 109112406) is N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide is CN(C)c1ccc(Nc2ccc(C(=O)NC3CCCC3)nn2)cc1.
What is the InChIKey of N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The InChIKey is GMKMNMWCHKOWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-23(2)15-9-7-14(8-10-15)19-17-12-11-16(21-22-17)18(24)20-13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109112406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).