3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide

C16H20N4O — CID 122185547

IUPAC3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C16H20N4O/c1-3-12(4-2)19-16(21)14-15(17)18-10-13(20-14)11-8-6-5-7-9-11/h5-10,12H,3-4H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyRXSYHZDKVYLRPZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.64
Rot. Bonds5

About 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide

3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide (PubChem CID 122185547) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide
PubChem CID122185547
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C16H20N4O/c1-3-12(4-2)19-16(21)14-15(17)18-10-13(20-14)11-8-6-5-7-9-11/h5-10,12H,3-4H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyRXSYHZDKVYLRPZ-UHFFFAOYSA-N
XLogP2.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Asp-5854
CID 24810000
VE-821
CID 51000408
L-375378
CID 154118
3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}pyrazine-2-Carboxamide
CID 10254786
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
3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
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-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
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
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11796404

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide (CID 122185547) is 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide is CCC(CC)NC(=O)c1nc(-c2ccccc2)cnc1N.
What is the InChIKey of 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide?
The InChIKey is RXSYHZDKVYLRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-12(4-2)19-16(21)14-15(17)18-10-13(20-14)11-8-6-5-7-9-11/h5-10,12H,3-4H2,1-2H3,(H2,17,18)(H,19,21).
What are the key properties of 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide?
3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 122185547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).