N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide

C20H24N4O2 — CID 109113677

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)NCCC2=CCCCC2)nn1
InChIInChI=1S/C20H24N4O2/c1-26-18-10-6-5-9-16(18)22-19-12-11-17(23-24-19)20(25)21-14-13-15-7-3-2-4-8-15/h5-7,9-12H,2-4,8,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyCBHDMSZGFPIUGR-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide (PubChem CID 109113677) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
PubChem CID109113677
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)NCCC2=CCCCC2)nn1
InChIInChI=1S/C20H24N4O2/c1-26-18-10-6-5-9-16(18)22-19-12-11-17(23-24-19)20(25)21-14-13-15-7-3-2-4-8-15/h5-7,9-12H,2-4,8,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyCBHDMSZGFPIUGR-UHFFFAOYSA-N
XLogP3.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
CID 15991965
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
CID 109125507
methyl 2-[[6-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109183687
6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
CID 109113689
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109152831
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
6-(2-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122308
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113652

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide (CID 109113677) is N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide is COc1ccccc1Nc1ccc(C(=O)NCCC2=CCCCC2)nn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The InChIKey is CBHDMSZGFPIUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-18-10-6-5-9-16(18)22-19-12-11-17(23-24-19)20(25)21-14-13-15-7-3-2-4-8-15/h5-7,9-12H,2-4,8,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).