2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide

C15H19N5O — CID 114476656

IUPAC2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide
SMILESCc1ncc(N(CC(N)=O)Cc2cccc(N)c2)nc1C
InChIInChI=1S/C15H19N5O/c1-10-11(2)19-15(7-18-10)20(9-14(17)21)8-12-4-3-5-13(16)6-12/h3-7H,8-9,16H2,1-2H3,(H2,17,21)
InChIKeyKDVMEFAZGCLEIU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.17
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide

2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide (PubChem CID 114476656) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide
PubChem CID114476656
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide
SMILESCc1ncc(N(CC(N)=O)Cc2cccc(N)c2)nc1C
InChIInChI=1S/C15H19N5O/c1-10-11(2)19-15(7-18-10)20(9-14(17)21)8-12-4-3-5-13(16)6-12/h3-7H,8-9,16H2,1-2H3,(H2,17,21)
InChIKeyKDVMEFAZGCLEIU-UHFFFAOYSA-N
XLogP1.17
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.17
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-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
CID 106550306
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
2-[(3-aminophenyl)methyl-(6-methoxy-2-pyridinyl)amino]acetamide
CID 63589902
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713137
2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149855
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 64588996
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide (CID 114476656) is 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide is Cc1ncc(N(CC(N)=O)Cc2cccc(N)c2)nc1C.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide?
The InChIKey is KDVMEFAZGCLEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-11(2)19-15(7-18-10)20(9-14(17)21)8-12-4-3-5-13(16)6-12/h3-7H,8-9,16H2,1-2H3,(H2,17,21).
What are the key properties of 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide?
2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide is sourced from PubChem (CID 114476656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).