N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide

C15H17N5O2 — CID 10402476

IUPACN-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C15H17N5O2/c1-10(21)17-7-8-18-15(22)13-14(16)19-9-12(20-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,16,19)(H,17,21)(H,18,22)
InChIKeyKMGQRNALSGEZAE-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.59
Rot. Bonds5

About N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide

N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide (PubChem CID 10402476) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
PubChem CID10402476
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C15H17N5O2/c1-10(21)17-7-8-18-15(22)13-14(16)19-9-12(20-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,16,19)(H,17,21)(H,18,22)
InChIKeyKMGQRNALSGEZAE-UHFFFAOYSA-N
XLogP0.59
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-N-(2-hydroxyethyl)-6-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 121004737
(E)-1-(3-amino-6-phenylpyrazin-2-yl)-3-(dimethylamino)prop-2-en-1-one
CID 58710587
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
CID 10331970
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide (CID 10402476) is N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide is CC(=O)NCCNC(=O)c1nc(-c2ccccc2)cnc1N.
What is the InChIKey of N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide?
The InChIKey is KMGQRNALSGEZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10(21)17-7-8-18-15(22)13-14(16)19-9-12(20-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,16,19)(H,17,21)(H,18,22).
What are the key properties of N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide?
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 10402476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).