2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide

C16H17N3O2 — CID 70518829

IUPAC2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H17N3O2/c1-16(2)9-12(16)15(21)17-11-5-3-10(4-6-11)13-7-8-14(20)19-18-13/h3-8,12H,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDEKZZJOASAEQFF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.42
Rot. Bonds3

About 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 70518829) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID70518829
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H17N3O2/c1-16(2)9-12(16)15(21)17-11-5-3-10(4-6-11)13-7-8-14(20)19-18-13/h3-8,12H,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDEKZZJOASAEQFF-UHFFFAOYSA-N
XLogP2.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide (CID 70518829) is 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is DEKZZJOASAEQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2)9-12(16)15(21)17-11-5-3-10(4-6-11)13-7-8-14(20)19-18-13/h3-8,12H,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70518829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).