N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C14H14ClN3O2 — CID 136905898

IUPACN-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H14ClN3O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-13-5-4-9(19)7-11(13)15/h4-7,19H,3H2,1-2H3,(H,16,20)
InChIKeyQRBWSZPPVVNBMH-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.96
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 136905898) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID136905898
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H14ClN3O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-13-5-4-9(19)7-11(13)15/h4-7,19H,3H2,1-2H3,(H,16,20)
InChIKeyQRBWSZPPVVNBMH-UHFFFAOYSA-N
XLogP2.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624333
N-(4-amino-2-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669043
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623754
N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104757159
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
N-(3-amino-2,6-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669076
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 106501987

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 136905898) is N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is QRBWSZPPVVNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-13-5-4-9(19)7-11(13)15/h4-7,19H,3H2,1-2H3,(H,16,20).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 136905898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).