N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide

C14H15N3O2 — CID 112706629

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccnnc1
InChIInChI=1S/C14H15N3O2/c1-10(12-5-3-4-6-13(12)18)17(2)14(19)11-7-8-15-16-9-11/h3-10,18H,1-2H3
InChIKeyPMVIHBGTNYXSML-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.02
Rot. Bonds3

About N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide (PubChem CID 112706629) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
PubChem CID112706629
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccnnc1
InChIInChI=1S/C14H15N3O2/c1-10(12-5-3-4-6-13(12)18)17(2)14(19)11-7-8-15-16-9-11/h3-10,18H,1-2H3
InChIKeyPMVIHBGTNYXSML-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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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
6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 63978962
N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide
CID 71910682
N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide
CID 84597509
N-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide
CID 97613018
N-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide
CID 97613019
2-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 108091506
N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridazine-4-carboxamide
CID 109500205
[2-[2-(4-Fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 109500210
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pyridazine-4-carboxamide
CID 109886903
[4-(2,6-Difluorophenyl)-4-hydroxypiperidin-1-yl]-pyridazin-4-ylmethanone
CID 121533127

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide (CID 112706629) is N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide is CC(c1ccccc1O)N(C)C(=O)c1ccnnc1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is PMVIHBGTNYXSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(12-5-3-4-6-13(12)18)17(2)14(19)11-7-8-15-16-9-11/h3-10,18H,1-2H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide?
N-[1-(2-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-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 112706629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).