N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide

C17H21N5O2 — CID 109111487

IUPACN-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C17H21N5O2/c1-4-11(2)18-16-10-9-15(21-22-16)17(24)20-14-7-5-13(6-8-14)19-12(3)23/h5-11H,4H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyOIRCEUMBTJLLTO-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.90
Rot. Bonds6

About N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide

N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 109111487) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
PubChem CID109111487
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C17H21N5O2/c1-4-11(2)18-16-10-9-15(21-22-16)17(24)20-14-7-5-13(6-8-14)19-12(3)23/h5-11H,4H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyOIRCEUMBTJLLTO-UHFFFAOYSA-N
XLogP2.90
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109111531
6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109111535
6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
CID 133313240
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
6-(butan-2-ylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109111349
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109111709
N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
CID 60859038
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111062
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide (CID 109111487) is N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide is CCC(C)Nc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is OIRCEUMBTJLLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-11(2)18-16-10-9-15(21-22-16)17(24)20-14-7-5-13(6-8-14)19-12(3)23/h5-11H,4H2,1-3H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide?
N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).