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

C16H19N5O — CID 113049573

IUPACN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C16H19N5O/c1-21(2)13-7-5-12(6-8-13)17-14-9-10-15(20-19-14)18-16(22)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,17,19)(H,18,20,22)
InChIKeyYEIJWILEEGNPJX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.63
Rot. Bonds5

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

N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113049573) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113049573
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C16H19N5O/c1-21(2)13-7-5-12(6-8-13)17-14-9-10-15(20-19-14)18-16(22)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,17,19)(H,18,20,22)
InChIKeyYEIJWILEEGNPJX-UHFFFAOYSA-N
XLogP2.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.63
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-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113050746
tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
CID 113049625
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide (CID 113049573) is N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide is CN(C)c1ccc(Nc2ccc(NC(=O)C3CC3)nn2)cc1.
What is the InChIKey of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is YEIJWILEEGNPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-21(2)13-7-5-12(6-8-13)17-14-9-10-15(20-19-14)18-16(22)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,17,19)(H,18,20,22).
What are the key properties of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113049573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).