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

C19H21ClN4O — CID 109275595

IUPACN-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C19H21ClN4O/c20-15-8-4-5-9-16(15)24-19(25)17-12-23-18(13-22-17)21-11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2,(H,21,23)(H,24,25)
InChIKeyVYWQMPANMGWGOW-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.68
Rot. Bonds6

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

N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109275595) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
PubChem CID109275595
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C19H21ClN4O/c20-15-8-4-5-9-16(15)24-19(25)17-12-23-18(13-22-17)21-11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2,(H,21,23)(H,24,25)
InChIKeyVYWQMPANMGWGOW-UHFFFAOYSA-N
XLogP4.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.68
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

methyl 2-[[5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109275623
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
CID 109275648
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109275614
N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275603
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275561
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275644
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109275513
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109342577
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109152741

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide (CID 109275595) is N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(NCCC2=CCCCC2)cn1.
What is the InChIKey of N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is VYWQMPANMGWGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-15-8-4-5-9-16(15)24-19(25)17-12-23-18(13-22-17)21-11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2,(H,21,23)(H,24,25).
What are the key properties of N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 356.86 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109275595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).