N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide

C18H24N4O — CID 109109147

IUPACN-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-5-12-19-16-11-10-15(21-22-16)17(23)20-14-9-7-6-8-13(14)18(2,3)4/h6-11H,5,12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyGFZCZFOUPPVXPF-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.85
Rot. Bonds5

About N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide

N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 109109147) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID109109147
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-5-12-19-16-11-10-15(21-22-16)17(23)20-14-9-7-6-8-13(14)18(2,3)4/h6-11H,5,12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyGFZCZFOUPPVXPF-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167021
N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107643067
N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338352
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109114208
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
N-(2-tert-butylphenyl)-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109128319
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109124777

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide (CID 109109147) is N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ccccc2C(C)(C)C)nn1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is GFZCZFOUPPVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-12-19-16-11-10-15(21-22-16)17(23)20-14-9-7-6-8-13(14)18(2,3)4/h6-11H,5,12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).