3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide

C15H17N3O2 — CID 104625709

IUPAC3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCc1ccccc1O
InChIInChI=1S/C15H17N3O2/c1-3-13-12(8-10(2)17-18-13)15(20)16-9-11-6-4-5-7-14(11)19/h4-8,19H,3,9H2,1-2H3,(H,16,20)
InChIKeyUVPUERXGQIHKGY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.98
Rot. Bonds4

About 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide

3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide (PubChem CID 104625709) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
PubChem CID104625709
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCc1ccccc1O
InChIInChI=1S/C15H17N3O2/c1-3-13-12(8-10(2)17-18-13)15(20)16-9-11-6-4-5-7-14(11)19/h4-8,19H,3,9H2,1-2H3,(H,16,20)
InChIKeyUVPUERXGQIHKGY-UHFFFAOYSA-N
XLogP1.98
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107233817
N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623868
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 114331675
N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104669113
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670448
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide (CID 104625709) is 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCc1ccccc1O.
What is the InChIKey of 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide?
The InChIKey is UVPUERXGQIHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-13-12(8-10(2)17-18-13)15(20)16-9-11-6-4-5-7-14(11)19/h4-8,19H,3,9H2,1-2H3,(H,16,20).
What are the key properties of 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide?
3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104625709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).