N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide

C19H29N5O — CID 109275377

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCCN1CCN(c2cnc(C(=O)NCCC3=CCCCC3)cn2)CC1
InChIInChI=1S/C19H29N5O/c1-2-23-10-12-24(13-11-23)18-15-21-17(14-22-18)19(25)20-9-8-16-6-4-3-5-7-16/h6,14-15H,2-5,7-13H2,1H3,(H,20,25)
InChIKeyYAGFEYVHLOINJP-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109275377) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109275377
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCCN1CCN(c2cnc(C(=O)NCCC3=CCCCC3)cn2)CC1
InChIInChI=1S/C19H29N5O/c1-2-23-10-12-24(13-11-23)18-15-21-17(14-22-18)19(25)20-9-8-16-6-4-3-5-7-16/h6,14-15H,2-5,7-13H2,1H3,(H,20,25)
InChIKeyYAGFEYVHLOINJP-UHFFFAOYSA-N
XLogP2.24
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109275408
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278606
5-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271173
5-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109278578
5-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109278597
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109045001
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112885536
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109275513
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109275377) is N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide is CCN1CCN(c2cnc(C(=O)NCCC3=CCCCC3)cn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is YAGFEYVHLOINJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-2-23-10-12-24(13-11-23)18-15-21-17(14-22-18)19(25)20-9-8-16-6-4-3-5-7-16/h6,14-15H,2-5,7-13H2,1H3,(H,20,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).