N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide

C19H25N5O — CID 113051011

IUPACN-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)C3CC3)nn2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)12-15)20-17-10-11-18(23-22-17)21-19(25)14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,20,22)(H,21,23,25)
InChIKeyPRKUHWXQAUYHOT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.72
Rot. Bonds7

About N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113051011) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113051011
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)C3CC3)nn2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)12-15)20-17-10-11-18(23-22-17)21-19(25)14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,20,22)(H,21,23,25)
InChIKeyPRKUHWXQAUYHOT-UHFFFAOYSA-N
XLogP3.72
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
CID 109109386
N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521428
2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144211
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514320
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
N-[4-(diethylamino)-2-methylphenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640111
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide (CID 113051011) is N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)C3CC3)nn2)c(C)c1.
What is the InChIKey of N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is PRKUHWXQAUYHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)12-15)20-17-10-11-18(23-22-17)21-19(25)14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,20,22)(H,21,23,25).
What are the key properties of N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113051011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).