N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide

C26H22N4O3 — CID 3188508

IUPACN-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccc(O)cc1)N(C(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C26H22N4O3/c31-22-13-11-20(12-14-22)24(25(32)29-17-19-7-3-1-4-8-19)30(21-9-5-2-6-10-21)26(33)23-18-27-15-16-28-23/h1-16,18,24,31H,17H2,(H,29,32)
InChIKeyFQIIGBXVWBRHBA-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide

N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 3188508) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
PubChem CID3188508
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccc(O)cc1)N(C(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C26H22N4O3/c31-22-13-11-20(12-14-22)24(25(32)29-17-19-7-3-1-4-8-19)30(21-9-5-2-6-10-21)26(33)23-18-27-15-16-28-23/h1-16,18,24,31H,17H2,(H,29,32)
InChIKeyFQIIGBXVWBRHBA-UHFFFAOYSA-N
XLogP3.89
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide (CID 3188508) is N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide is O=C(NCc1ccccc1)C(c1ccc(O)cc1)N(C(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is FQIIGBXVWBRHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c31-22-13-11-20(12-14-22)24(25(32)29-17-19-7-3-1-4-8-19)30(21-9-5-2-6-10-21)26(33)23-18-27-15-16-28-23/h1-16,18,24,31H,17H2,(H,29,32).
What are the key properties of N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide?
N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 3188508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).