N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide

C26H22N4O4 — CID 3188521

IUPACN-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1
InChIInChI=1S/C26H22N4O4/c1-18(31)20-9-5-10-21(15-20)30(26(33)22-17-27-12-13-28-22)24(23-11-6-14-34-23)25(32)29-16-19-7-3-2-4-8-19/h2-15,17,24H,16H2,1H3,(H,29,32)
InChIKeySDFNPFCYHLQXOL-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.98
Rot. Bonds8

About N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide

N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 3188521) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID3188521
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC NameN-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1
InChIInChI=1S/C26H22N4O4/c1-18(31)20-9-5-10-21(15-20)30(26(33)22-17-27-12-13-28-22)24(23-11-6-14-34-23)25(32)29-16-19-7-3-2-4-8-19/h2-15,17,24H,16H2,1H3,(H,29,32)
InChIKeySDFNPFCYHLQXOL-UHFFFAOYSA-N
XLogP3.98
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide (CID 3188521) is N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide is CC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is SDFNPFCYHLQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-18(31)20-9-5-10-21(15-20)30(26(33)22-17-27-12-13-28-22)24(23-11-6-14-34-23)25(32)29-16-19-7-3-2-4-8-19/h2-15,17,24H,16H2,1H3,(H,29,32).
What are the key properties of N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide?
N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3188521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).