N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide

C15H18N4O2 — CID 104669133

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(N)cc2)c(C)nn1
InChIInChI=1S/C15H18N4O2/c1-9-7-13(10(2)19-18-9)15(21)17-8-14(20)11-3-5-12(16)6-4-11/h3-7,14,20H,8,16H2,1-2H3,(H,17,21)
InChIKeyDOZTYASVTVPAIA-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.14
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104669133) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104669133
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(N)cc2)c(C)nn1
InChIInChI=1S/C15H18N4O2/c1-9-7-13(10(2)19-18-9)15(21)17-8-14(20)11-3-5-12(16)6-4-11/h3-7,14,20H,8,16H2,1-2H3,(H,17,21)
InChIKeyDOZTYASVTVPAIA-UHFFFAOYSA-N
XLogP1.14
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671449
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
CID 43461464
N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 107158781
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66127388
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 113439190
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
CID 43461425
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
CID 43461480
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104669133) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NCC(O)c2ccc(N)cc2)c(C)nn1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is DOZTYASVTVPAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-7-13(10(2)19-18-9)15(21)17-8-14(20)11-3-5-12(16)6-4-11/h3-7,14,20H,8,16H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104669133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).