4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide

C13H14N4O — CID 110476152

IUPAC4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2cnccn2)ccc1N
InChIInChI=1S/C13H14N4O/c1-9-6-10(2-3-12(9)14)13(18)17-8-11-7-15-4-5-16-11/h2-7H,8,14H2,1H3,(H,17,18)
InChIKeyBJRCXGNQTLMSTJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.30
Rot. Bonds3

About 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide

4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide (PubChem CID 110476152) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide
PubChem CID110476152
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2cnccn2)ccc1N
InChIInChI=1S/C13H14N4O/c1-9-6-10(2-3-12(9)14)13(18)17-8-11-7-15-4-5-16-11/h2-7H,8,14H2,1H3,(H,17,18)
InChIKeyBJRCXGNQTLMSTJ-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(pyrazin-2-ylmethyl)benzamide
CID 110476278
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 61248489
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
3-bromo-N-(pyrazin-2-ylmethyl)furan-2-carboxamide
CID 171841704
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
3-methyl-3-(phenoxymethyl)-N-(pyrazin-2-ylmethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide
CID 134804885
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
CID 18315403
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide (CID 110476152) is 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide is Cc1cc(C(=O)NCc2cnccn2)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The InChIKey is BJRCXGNQTLMSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-6-10(2-3-12(9)14)13(18)17-8-11-7-15-4-5-16-11/h2-7H,8,14H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide?
4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide is sourced from PubChem (CID 110476152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).