N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide

C27H28FN5O3 — CID 3178290

IUPACN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28FN5O3/c1-18(34)31-22-11-13-23(14-12-22)33(27(36)24-17-29-15-16-30-24)25(19-7-9-20(28)10-8-19)26(35)32-21-5-3-2-4-6-21/h7-17,21,25H,2-6H2,1H3,(H,31,34)(H,32,35)
InChIKeyGZFSLNJUJBAXRT-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.41
Rot. Bonds7

About N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide

N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 3178290) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID3178290
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC NameN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28FN5O3/c1-18(34)31-22-11-13-23(14-12-22)33(27(36)24-17-29-15-16-30-24)25(19-7-9-20(28)10-8-19)26(35)32-21-5-3-2-4-6-21/h7-17,21,25H,2-6H2,1H3,(H,31,34)(H,32,35)
InChIKeyGZFSLNJUJBAXRT-UHFFFAOYSA-N
XLogP4.41
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide (CID 3178290) is N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide is CC(=O)Nc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is GZFSLNJUJBAXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-18(34)31-22-11-13-23(14-12-22)33(27(36)24-17-29-15-16-30-24)25(19-7-9-20(28)10-8-19)26(35)32-21-5-3-2-4-6-21/h7-17,21,25H,2-6H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide?
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3178290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).