3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide

C16H20N4O — CID 122185571

IUPAC3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2cccc(C)c2)cnc1N
InChIInChI=1S/C16H20N4O/c1-4-11(3)19-16(21)14-15(17)18-9-13(20-14)12-7-5-6-10(2)8-12/h5-9,11H,4H2,1-3H3,(H2,17,18)(H,19,21)
InChIKeyYSCKIPHFCXMPLJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide

3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 122185571) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID122185571
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2cccc(C)c2)cnc1N
InChIInChI=1S/C16H20N4O/c1-4-11(3)19-16(21)14-15(17)18-9-13(20-14)12-7-5-6-10(2)8-12/h5-9,11H,4H2,1-3H3,(H2,17,18)(H,19,21)
InChIKeyYSCKIPHFCXMPLJ-UHFFFAOYSA-N
XLogP2.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Asp-5854
CID 24810000
5,6-Diaryl-pyrazine-2-amide derivative, 6b
CID 10309464
3-Amino-N-Methyl-6-[3-(1h-Tetrazol-5-Yl)phenyl]pyrazine-2-Carboxamide
CID 10357196
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
3-Amino-N-[4-(4-amino-1-piperidinyl)-3-pyridinyl]-6-phenyl-2-pyrazinecarboxamide
CID 68187629
N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 3419952
N-isopropyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440708
N-isopentyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440709
3-Amino-6-{3-[(Methylsulfonyl)amino]phenyl}-N-(Piperidin-4-Ylmethyl)pyrazine-2-Carboxamide
CID 56947174
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 165415067
6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415224

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide (CID 122185571) is 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide is CCC(C)NC(=O)c1nc(-c2cccc(C)c2)cnc1N.
What is the InChIKey of 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is YSCKIPHFCXMPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-11(3)19-16(21)14-15(17)18-9-13(20-14)12-7-5-6-10(2)8-12/h5-9,11H,4H2,1-3H3,(H2,17,18)(H,19,21).
What are the key properties of 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide?
3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-6-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 122185571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).