2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide

C13H16N4O2 — CID 81420449

IUPAC2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1ccnn1C
InChIInChI=1S/C13H16N4O2/c1-3-19-10-6-4-5-9(14)12(10)13(18)16-11-7-8-15-17(11)2/h4-8H,3,14H2,1-2H3,(H,16,18)
InChIKeyZRCTUDUVIFGQOY-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.65
Rot. Bonds4

About 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide

2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 81420449) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID81420449
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1ccnn1C
InChIInChI=1S/C13H16N4O2/c1-3-19-10-6-4-5-9(14)12(10)13(18)16-11-7-8-15-17(11)2/h4-8H,3,14H2,1-2H3,(H,16,18)
InChIKeyZRCTUDUVIFGQOY-UHFFFAOYSA-N
XLogP1.65
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide
CID 81420752
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide (CID 81420449) is 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide is CCOc1cccc(N)c1C(=O)Nc1ccnn1C.
What is the InChIKey of 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is ZRCTUDUVIFGQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-10-6-4-5-9(14)12(10)13(18)16-11-7-8-15-17(11)2/h4-8H,3,14H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide?
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 81420449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).