N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide

C14H12Cl2N4O — CID 113050746

IUPACN-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nn1)C1CC1
InChIInChI=1S/C14H12Cl2N4O/c15-10-4-3-9(7-11(10)16)17-12-5-6-13(20-19-12)18-14(21)8-1-2-8/h3-8H,1-2H2,(H,17,19)(H,18,20,21)
InChIKeyZBERDSIZLRPPAJ-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.88
Rot. Bonds4

About N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113050746) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113050746
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC NameN-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nn1)C1CC1
InChIInChI=1S/C14H12Cl2N4O/c15-10-4-3-9(7-11(10)16)17-12-5-6-13(20-19-12)18-14(21)8-1-2-8/h3-8H,1-2H2,(H,17,19)(H,18,20,21)
InChIKeyZBERDSIZLRPPAJ-UHFFFAOYSA-N
XLogP3.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805
N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 3880487
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113047900
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113048072
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate
CID 113049442
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide (CID 113050746) is N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide is O=C(Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nn1)C1CC1.
What is the InChIKey of N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is ZBERDSIZLRPPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-10-4-3-9(7-11(10)16)17-12-5-6-13(20-19-12)18-14(21)8-1-2-8/h3-8H,1-2H2,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113050746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).