5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide

C20H19N5O2 — CID 109279750

IUPAC5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)c1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-16-8-5-9-17(10-16)25-19-13-21-18(12-22-19)20(27)23-11-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLGZYQXRAUMUVNG-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds6

About 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide

5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide (PubChem CID 109279750) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
PubChem CID109279750
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)c1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-16-8-5-9-17(10-16)25-19-13-21-18(12-22-19)20(27)23-11-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLGZYQXRAUMUVNG-UHFFFAOYSA-N
XLogP3.11
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283309
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
CID 109279730
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283322
6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348464
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide (CID 109279750) is 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide is CC(=O)Nc1cccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide?
The InChIKey is LGZYQXRAUMUVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-16-8-5-9-17(10-16)25-19-13-21-18(12-22-19)20(27)23-11-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide?
5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide is sourced from PubChem (CID 109279750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).