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

C18H24N4O — CID 109111066

IUPAC6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(C)CNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C18H24N4O/c1-12(2)11-19-17-10-9-16(21-22-17)18(23)20-15-7-5-14(6-8-15)13(3)4/h5-10,12-13H,11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyBMWNJKOOTMXZLK-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.92
Rot. Bonds6

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

6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109111066) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID109111066
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(C)CNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C18H24N4O/c1-12(2)11-19-17-10-9-16(21-22-17)18(23)20-15-7-5-14(6-8-15)13(3)4/h5-10,12-13H,11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyBMWNJKOOTMXZLK-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111062
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111125
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111101
6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313257
6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320900

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 109111066) is 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is CC(C)CNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1.
What is the InChIKey of 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is BMWNJKOOTMXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)11-19-17-10-9-16(21-22-17)18(23)20-15-7-5-14(6-8-15)13(3)4/h5-10,12-13H,11H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).