N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide

C18H22N4O — CID 113045805

IUPACN-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CCCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-13-7-9-15(10-8-13)19-16-11-12-17(22-21-16)20-18(23)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyLUVJCBNSIKVZHP-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.05
Rot. Bonds4

About N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide

N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide (PubChem CID 113045805) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
PubChem CID113045805
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CCCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-13-7-9-15(10-8-13)19-16-11-12-17(22-21-16)20-18(23)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyLUVJCBNSIKVZHP-UHFFFAOYSA-N
XLogP4.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.05
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-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113050746
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112707
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
CID 113049713
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide (CID 113045805) is N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide is Cc1ccc(Nc2ccc(NC(=O)C3CCCCC3)nn2)cc1.
What is the InChIKey of N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide?
The InChIKey is LUVJCBNSIKVZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-7-9-15(10-8-13)19-16-11-12-17(22-21-16)20-18(23)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide?
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 113045805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).