N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide

C17H22N4O — CID 109109143

IUPACN-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C17H22N4O/c1-4-11-18-16-10-9-15(20-21-16)17(22)19-14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyULAXCWDGWJRVPV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.67
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide

N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 109109143) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID109109143
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C17H22N4O/c1-4-11-18-16-10-9-15(20-21-16)17(22)19-14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyULAXCWDGWJRVPV-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
6-(propylamino)-N-thiophen-3-ylpyridazine-3-carboxamide
CID 66353573
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(diethylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109124305
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111062
N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125492

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide (CID 109109143) is N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is ULAXCWDGWJRVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-11-18-16-10-9-15(20-21-16)17(22)19-14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).