4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide

C18H18Cl2N4O — CID 66883046

IUPAC4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnn2)CCC1=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4O/c1-12-11-24(18(25)22-17-3-2-7-21-23-17)8-6-14(12)9-13-4-5-15(19)16(20)10-13/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,22,23,25)
InChIKeyQJXWSAXBWBIOJX-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.74
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide

4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 66883046) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID66883046
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnn2)CCC1=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4O/c1-12-11-24(18(25)22-17-3-2-7-21-23-17)8-6-14(12)9-13-4-5-15(19)16(20)10-13/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,22,23,25)
InChIKeyQJXWSAXBWBIOJX-UHFFFAOYSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 66883046) is 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2cccnn2)CCC1=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is QJXWSAXBWBIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-12-11-24(18(25)22-17-3-2-7-21-23-17)8-6-14(12)9-13-4-5-15(19)16(20)10-13/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,22,23,25).
What are the key properties of 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 377.28 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66883046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).