N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide

C16H18N4O — CID 113046489

IUPACN-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)C2CC2)nn1
InChIInChI=1S/C16H18N4O/c1-10-4-3-5-11(2)15(10)17-13-8-9-14(20-19-13)18-16(21)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyXPXMJTFEDAONRD-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.19
Rot. Bonds4

About N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113046489) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113046489
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)C2CC2)nn1
InChIInChI=1S/C16H18N4O/c1-10-4-3-5-11(2)15(10)17-13-8-9-14(20-19-13)18-16(21)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyXPXMJTFEDAONRD-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113046519
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide (CID 113046489) is N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide is Cc1cccc(C)c1Nc1ccc(NC(=O)C2CC2)nn1.
What is the InChIKey of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is XPXMJTFEDAONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-4-3-5-11(2)15(10)17-13-8-9-14(20-19-13)18-16(21)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 282.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113046489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).