3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide

C18H16N4O2 — CID 10403717

IUPAC3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide
SMILESNC(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)cnc1N
InChIInChI=1S/C18H16N4O2/c19-17-16(18(20)23)22-15(10-21-17)13-6-8-14(9-7-13)24-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,21)(H2,20,23)
InChIKeyLEEUBYJFCXHLJJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.40
Rot. Bonds5

About 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide

3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 10403717) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide
PubChem CID10403717
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide
SMILESNC(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)cnc1N
InChIInChI=1S/C18H16N4O2/c19-17-16(18(20)23)22-15(10-21-17)13-6-8-14(9-7-13)24-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,21)(H2,20,23)
InChIKeyLEEUBYJFCXHLJJ-UHFFFAOYSA-N
XLogP2.40
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide (CID 10403717) is 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide is NC(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)cnc1N.
What is the InChIKey of 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is LEEUBYJFCXHLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-17-16(18(20)23)22-15(10-21-17)13-6-8-14(9-7-13)24-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,21)(H2,20,23).
What are the key properties of 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide?
3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 10403717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).