N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide

C26H28N4O2 — CID 166332781

IUPACN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
SMILESO=C(NC1CCCCC1)C(c1cnccn1)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C26H28N4O2/c31-25(29-22-14-8-3-9-15-22)24(23-18-27-16-17-28-23)30(19-20-10-4-1-5-11-20)26(32)21-12-6-2-7-13-21/h1-2,4-7,10-13,16-18,22,24H,3,8-9,14-15,19H2,(H,29,31)
InChIKeyBYUIVUPDJFTDNP-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.31
Rot. Bonds7

About N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide

N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide (PubChem CID 166332781) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
PubChem CID166332781
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
SMILESO=C(NC1CCCCC1)C(c1cnccn1)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C26H28N4O2/c31-25(29-22-14-8-3-9-15-22)24(23-18-27-16-17-28-23)30(19-20-10-4-1-5-11-20)26(32)21-12-6-2-7-13-21/h1-2,4-7,10-13,16-18,22,24H,3,8-9,14-15,19H2,(H,29,31)
InChIKeyBYUIVUPDJFTDNP-UHFFFAOYSA-N
XLogP4.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332793
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
CID 166632953
N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide
CID 166332777
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide
CID 23910969
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3205958
N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3816372
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211636
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533
N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-5-oxothiolane-3-carboxamide
CID 3227547
(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide?
The IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide (CID 166332781) is N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide?
The canonical SMILES for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide is O=C(NC1CCCCC1)C(c1cnccn1)N(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide?
The InChIKey is BYUIVUPDJFTDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(29-22-14-8-3-9-15-22)24(23-18-27-16-17-28-23)30(19-20-10-4-1-5-11-20)26(32)21-12-6-2-7-13-21/h1-2,4-7,10-13,16-18,22,24H,3,8-9,14-15,19H2,(H,29,31).
What are the key properties of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide?
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide has a molecular weight of 428.54 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide is sourced from PubChem (CID 166332781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).