N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide

C16H17N5O2 — CID 113049270

IUPACN-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C16H17N5O2/c1-10(22)17-12-4-6-13(7-5-12)18-14-8-9-15(21-20-14)19-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,17,22)(H,18,20)(H,19,21,23)
InChIKeyGGCQLLDXHFRILR-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.53
Rot. Bonds5

About N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113049270) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113049270
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C16H17N5O2/c1-10(22)17-12-4-6-13(7-5-12)18-14-8-9-15(21-20-14)19-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,17,22)(H,18,20)(H,19,21,23)
InChIKeyGGCQLLDXHFRILR-UHFFFAOYSA-N
XLogP2.53
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113050746
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774
N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049321
N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113048072

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide (CID 113049270) is N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide is CC(=O)Nc1ccc(Nc2ccc(NC(=O)C3CC3)nn2)cc1.
What is the InChIKey of N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is GGCQLLDXHFRILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(22)17-12-4-6-13(7-5-12)18-14-8-9-15(21-20-14)19-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,17,22)(H,18,20)(H,19,21,23).
What are the key properties of N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113049270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).