N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide

C20H23ClN4O2 — CID 109113567

IUPACN-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NCCC2=CCCCC2)nn1
InChIInChI=1S/C20H23ClN4O2/c1-27-18-9-7-15(21)13-17(18)23-20(26)16-8-10-19(25-24-16)22-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyLCAJYYHOUOXJRS-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.69
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109113567) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide
PubChem CID109113567
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NCCC2=CCCCC2)nn1
InChIInChI=1S/C20H23ClN4O2/c1-27-18-9-7-15(21)13-17(18)23-20(26)16-8-10-19(25-24-16)22-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyLCAJYYHOUOXJRS-UHFFFAOYSA-N
XLogP4.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.69
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-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205615
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
1-(5-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 970439
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109113542
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326
6-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109113587
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide (CID 109113567) is N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc(NCCC2=CCCCC2)nn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is LCAJYYHOUOXJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-27-18-9-7-15(21)13-17(18)23-20(26)16-8-10-19(25-24-16)22-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109113567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).