N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide

C26H28N4O3 — CID 24792487

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-22-14-12-21(13-15-22)30(26(32)23-18-27-16-17-28-23)24(19-8-4-2-5-9-19)25(31)29-20-10-6-3-7-11-20/h2,4-5,8-9,12-18,20,24H,3,6-7,10-11H2,1H3,(H,29,31)
InChIKeyCUUMKYKJDBDYEW-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.32
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 24792487) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID24792487
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-22-14-12-21(13-15-22)30(26(32)23-18-27-16-17-28-23)24(19-8-4-2-5-9-19)25(31)29-20-10-6-3-7-11-20/h2,4-5,8-9,12-18,20,24H,3,6-7,10-11H2,1H3,(H,29,31)
InChIKeyCUUMKYKJDBDYEW-UHFFFAOYSA-N
XLogP4.32
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide (CID 24792487) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is CUUMKYKJDBDYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-33-22-14-12-21(13-15-22)30(26(32)23-18-27-16-17-28-23)24(19-8-4-2-5-9-19)25(31)29-20-10-6-3-7-11-20/h2,4-5,8-9,12-18,20,24H,3,6-7,10-11H2,1H3,(H,29,31).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 24792487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).