N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide

C14H15N3O2 — CID 104670810

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccnnc1
InChIInChI=1S/C14H15N3O2/c1-10(11-3-5-13(18)6-4-11)17(2)14(19)12-7-8-15-16-9-12/h3-10,18H,1-2H3
InChIKeyPBOHSDYEVOZAFN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.02
Rot. Bonds3

About N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide

N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide (PubChem CID 104670810) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
PubChem CID104670810
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccnnc1
InChIInChI=1S/C14H15N3O2/c1-10(11-3-5-13(18)6-4-11)17(2)14(19)12-7-8-15-16-9-12/h3-10,18H,1-2H3
InChIKeyPBOHSDYEVOZAFN-UHFFFAOYSA-N
XLogP2.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide
CID 137306340
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridazine-4-carboxamide
CID 137317379
3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide
CID 171674418
N-[(1R)-1-(4-methoxyphenyl)ethyl]pyridazine-4-carboxamide
CID 91109364
3,6-dichloro-N-[(4-hydroxyphenyl)methyl]-N-methylpyridazine-4-carboxamide
CID 108096620
3,6-dichloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
CID 108096638
N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide
CID 54912870
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 54913399
N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 54914194
N-[1-(4-hydroxyphenyl)ethyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 61044182
N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63079068
N-[1-(4-hydroxyphenyl)ethyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64445299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide (CID 104670810) is N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide is CC(c1ccc(O)cc1)N(C)C(=O)c1ccnnc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is PBOHSDYEVOZAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(11-3-5-13(18)6-4-11)17(2)14(19)12-7-8-15-16-9-12/h3-10,18H,1-2H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide?
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104670810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).