N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide

C20H27N3O — CID 142149834

IUPACN-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide
SMILESC/C=C1\CC(C)C(c2ccc(NC(=O)C3CCCCC3)cc2)=NN1
InChIInChI=1S/C20H27N3O/c1-3-17-13-14(2)19(23-22-17)15-9-11-18(12-10-15)21-20(24)16-7-5-4-6-8-16/h3,9-12,14,16,22H,4-8,13H2,1-2H3,(H,21,24)/b17-3+
InChIKeyUOWSHUZFBXQEBZ-IJUHEHPCSA-N
MW325.46 g/mol
LogP4.44
Rot. Bonds3

About N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide

N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide (PubChem CID 142149834) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide
PubChem CID142149834
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide
SMILESC/C=C1\CC(C)C(c2ccc(NC(=O)C3CCCCC3)cc2)=NN1
InChIInChI=1S/C20H27N3O/c1-3-17-13-14(2)19(23-22-17)15-9-11-18(12-10-15)21-20(24)16-7-5-4-6-8-16/h3,9-12,14,16,22H,4-8,13H2,1-2H3,(H,21,24)/b17-3+
InChIKeyUOWSHUZFBXQEBZ-IJUHEHPCSA-N
XLogP4.44
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
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N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]cyclohexanecarboxamide
CID 20516927
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide (CID 142149834) is N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide is C/C=C1\CC(C)C(c2ccc(NC(=O)C3CCCCC3)cc2)=NN1.
What is the InChIKey of N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is UOWSHUZFBXQEBZ-IJUHEHPCSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-17-13-14(2)19(23-22-17)15-9-11-18(12-10-15)21-20(24)16-7-5-4-6-8-16/h3,9-12,14,16,22H,4-8,13H2,1-2H3,(H,21,24)/b17-3+.
What are the key properties of N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide?
N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6E)-6-ethylidene-4-methyl-4,5-dihydro-1H-pyridazin-3-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 142149834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).