3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide

C15H19N5O — CID 62685321

IUPAC3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide
SMILESCC(C)N(Cc1cccc(N)c1)c1nccnc1C(N)=O
InChIInChI=1S/C15H19N5O/c1-10(2)20(9-11-4-3-5-12(16)8-11)15-13(14(17)21)18-6-7-19-15/h3-8,10H,9,16H2,1-2H3,(H2,17,21)
InChIKeyBJEOOQXMPFNJGO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.57
Rot. Bonds5

About 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide

3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide (PubChem CID 62685321) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide
PubChem CID62685321
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide
SMILESCC(C)N(Cc1cccc(N)c1)c1nccnc1C(N)=O
InChIInChI=1S/C15H19N5O/c1-10(2)20(9-11-4-3-5-12(16)8-11)15-13(14(17)21)18-6-7-19-15/h3-8,10H,9,16H2,1-2H3,(H2,17,21)
InChIKeyBJEOOQXMPFNJGO-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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

N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
CID 60876264
N-[(3-aminophenyl)methyl]-3-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 107516858
N-[(3-aminophenyl)methyl]-5-bromo-N-propan-2-ylpyrimidin-2-amine
CID 55251181
5-[(3-aminophenyl)methyl-propan-2-ylamino]pyridine-2-carbonitrile
CID 115490479
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451
N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62960824
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
CID 43460181
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide?
The IUPAC name of 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide (CID 62685321) is 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide is CC(C)N(Cc1cccc(N)c1)c1nccnc1C(N)=O.
What is the InChIKey of 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide?
The InChIKey is BJEOOQXMPFNJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(2)20(9-11-4-3-5-12(16)8-11)15-13(14(17)21)18-6-7-19-15/h3-8,10H,9,16H2,1-2H3,(H2,17,21).
What are the key properties of 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide?
3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 62685321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).