N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C19H24N4O — CID 109111813

IUPACN-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C19H24N4O/c1-19(2,3)14-8-4-5-9-15(14)20-18(24)16-10-11-17(22-21-16)23-12-6-7-13-23/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,20,24)
InChIKeyJJPLEUDNJSOWQM-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.63
Rot. Bonds3

About N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 109111813) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID109111813
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C19H24N4O/c1-19(2,3)14-8-4-5-9-15(14)20-18(24)16-10-11-17(22-21-16)23-12-6-7-13-23/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,20,24)
InChIKeyJJPLEUDNJSOWQM-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide
CID 109117149
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
6-(azepan-1-yl)-N-(2-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847694
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322351
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid
CID 136552822
N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027765

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 109111813) is N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is JJPLEUDNJSOWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,3)14-8-4-5-9-15(14)20-18(24)16-10-11-17(22-21-16)23-12-6-7-13-23/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,20,24).
What are the key properties of N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109111813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).