3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide

C16H13N5O — CID 52937252

IUPAC3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccncc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H13N5O/c17-15-14(16(22)20-12-4-2-1-3-5-12)21-13(10-19-15)11-6-8-18-9-7-11/h1-10H,(H2,17,19)(H,20,22)
InChIKeyBRGYAMLLKAJOAV-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.37
Rot. Bonds3

About 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide

3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide (PubChem CID 52937252) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide
PubChem CID52937252
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccncc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H13N5O/c17-15-14(16(22)20-12-4-2-1-3-5-12)21-13(10-19-15)11-6-8-18-9-7-11/h1-10H,(H2,17,19)(H,20,22)
InChIKeyBRGYAMLLKAJOAV-UHFFFAOYSA-N
XLogP2.37
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide (CID 52937252) is 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide is Nc1ncc(-c2ccncc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide?
The InChIKey is BRGYAMLLKAJOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-15-14(16(22)20-12-4-2-1-3-5-12)21-13(10-19-15)11-6-8-18-9-7-11/h1-10H,(H2,17,19)(H,20,22).
What are the key properties of 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide?
3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-pyridin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 52937252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).