N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

C23H28N4O — CID 50848279

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(-c2nccnc2N2CCCC2)cc1
InChIInChI=1S/C23H28N4O/c28-23(26-13-12-18-6-2-1-3-7-18)20-10-8-19(9-11-20)21-22(25-15-14-24-21)27-16-4-5-17-27/h6,8-11,14-15H,1-5,7,12-13,16-17H2,(H,26,28)
InChIKeyUOIRAIPEBAYFAU-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.36
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (PubChem CID 50848279) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
PubChem CID50848279
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(-c2nccnc2N2CCCC2)cc1
InChIInChI=1S/C23H28N4O/c28-23(26-13-12-18-6-2-1-3-7-18)20-10-8-19(9-11-20)21-22(25-15-14-24-21)27-16-4-5-17-27/h6,8-11,14-15H,1-5,7,12-13,16-17H2,(H,26,28)
InChIKeyUOIRAIPEBAYFAU-UHFFFAOYSA-N
XLogP4.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
CID 71802622
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848410
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848231
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (CID 50848279) is N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is O=C(NCCC1=CCCCC1)c1ccc(-c2nccnc2N2CCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The InChIKey is UOIRAIPEBAYFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(26-13-12-18-6-2-1-3-7-18)20-10-8-19(9-11-20)21-22(25-15-14-24-21)27-16-4-5-17-27/h6,8-11,14-15H,1-5,7,12-13,16-17H2,(H,26,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 50848279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).