1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide

C15H14ClN3O2 — CID 70522729

IUPAC1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)C2(Cl)CC2)cc1
InChIInChI=1S/C15H14ClN3O2/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14(21)15(16)6-7-15/h2-5,8H,6-7H2,1H3,(H,17,21)(H,18,20)
InChIKeyRKHRSKHXPBGBHD-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.46
Rot. Bonds3

About 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide

1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 70522729) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID70522729
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)C2(Cl)CC2)cc1
InChIInChI=1S/C15H14ClN3O2/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14(21)15(16)6-7-15/h2-5,8H,6-7H2,1H3,(H,17,21)(H,18,20)
InChIKeyRKHRSKHXPBGBHD-UHFFFAOYSA-N
XLogP2.46
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide (CID 70522729) is 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide is Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)C2(Cl)CC2)cc1.
What is the InChIKey of 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is RKHRSKHXPBGBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14(21)15(16)6-7-15/h2-5,8H,6-7H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70522729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).