N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide

C20H30N4O — CID 109275561

IUPACN-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C20H30N4O/c25-20(24-17-10-6-1-2-7-11-17)18-14-23-19(15-22-18)21-13-12-16-8-4-3-5-9-16/h8,14-15,17H,1-7,9-13H2,(H,21,23)(H,24,25)
InChIKeyDXAJWVXWKNTFPO-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.23
Rot. Bonds6

About N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide

N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109275561) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
PubChem CID109275561
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C20H30N4O/c25-20(24-17-10-6-1-2-7-11-17)18-14-23-19(15-22-18)21-13-12-16-8-4-3-5-9-16/h8,14-15,17H,1-7,9-13H2,(H,21,23)(H,24,25)
InChIKeyDXAJWVXWKNTFPO-UHFFFAOYSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364455
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109275513
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109274670
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275595
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
CID 109275648
1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
CID 113039355
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 102253633
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592
[5-[2-(cyclohexen-1-yl)ethylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109275511

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide (CID 109275561) is N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide is O=C(NC1CCCCCC1)c1cnc(NCCC2=CCCCC2)cn1.
What is the InChIKey of N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is DXAJWVXWKNTFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-20(24-17-10-6-1-2-7-11-17)18-14-23-19(15-22-18)21-13-12-16-8-4-3-5-9-16/h8,14-15,17H,1-7,9-13H2,(H,21,23)(H,24,25).
What are the key properties of N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109275561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).