N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide

C21H26N4O3 — CID 113039326

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCC3=CCCCC3)nn2)c1
InChIInChI=1S/C21H26N4O3/c1-27-17-12-16(13-18(14-17)28-2)21(26)23-20-9-8-19(24-25-20)22-11-10-15-6-4-3-5-7-15/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyYMMGYNBKVGJAQB-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.05
Rot. Bonds8

About N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide (PubChem CID 113039326) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
PubChem CID113039326
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCC3=CCCCC3)nn2)c1
InChIInChI=1S/C21H26N4O3/c1-27-17-12-16(13-18(14-17)28-2)21(26)23-20-9-8-19(24-25-20)22-11-10-15-6-4-3-5-7-15/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyYMMGYNBKVGJAQB-UHFFFAOYSA-N
XLogP4.05
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113039305
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907
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]thiophene-2-carboxamide
CID 113039315
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide
CID 109113567
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-phenoxypropanamide
CID 113039338
6-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109152703
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109166660
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide (CID 113039326) is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NCCC3=CCCCC3)nn2)c1.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is YMMGYNBKVGJAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-17-12-16(13-18(14-17)28-2)21(26)23-20-9-8-19(24-25-20)22-11-10-15-6-4-3-5-7-15/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113039326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).