N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide

C17H20N4O2 — CID 109110227

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCc2ccccc2OC)nn1
InChIInChI=1S/C17H20N4O2/c1-3-11-18-16-9-8-14(20-21-16)17(22)19-12-10-13-6-4-5-7-15(13)23-2/h3-9H,1,10-12H2,2H3,(H,18,21)(H,19,22)
InChIKeyXIQITVXDCTWPPU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.06
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110227) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110227
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCc2ccccc2OC)nn1
InChIInChI=1S/C17H20N4O2/c1-3-11-18-16-9-8-14(20-21-16)17(22)19-12-10-13-6-4-5-7-15(13)23-2/h3-9H,1,10-12H2,2H3,(H,18,21)(H,19,22)
InChIKeyXIQITVXDCTWPPU-UHFFFAOYSA-N
XLogP2.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.06
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

N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110225
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705225
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
N-[2-(1H-indol-3-yl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110236
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
CID 109109201
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
6-(2-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122308
N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122252
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122261
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110227) is N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)NCCc2ccccc2OC)nn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is XIQITVXDCTWPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-11-18-16-9-8-14(20-21-16)17(22)19-12-10-13-6-4-5-7-15(13)23-2/h3-9H,1,10-12H2,2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).