N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide

C15H17N3O2 — CID 110705225

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C)nn1
InChIInChI=1S/C15H17N3O2/c1-11-7-8-13(18-17-11)15(19)16-10-9-12-5-3-4-6-14(12)20-2/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyDQYWXQADQPLWSN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide (PubChem CID 110705225) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
PubChem CID110705225
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C)nn1
InChIInChI=1S/C15H17N3O2/c1-11-7-8-13(18-17-11)15(19)16-10-9-12-5-3-4-6-14(12)20-2/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyDQYWXQADQPLWSN-UHFFFAOYSA-N
XLogP1.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
6-(2-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122308
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179678
2-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330964
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
5-(2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192496

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide (CID 110705225) is N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide is COc1ccccc1CCNC(=O)c1ccc(C)nn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide?
The InChIKey is DQYWXQADQPLWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-7-8-13(18-17-11)15(19)16-10-9-12-5-3-4-6-14(12)20-2/h3-8H,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide is sourced from PubChem (CID 110705225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).