N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide

C20H23ClN4O2 — CID 109275603

IUPACN-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)cn2)cc1Cl
InChIInChI=1S/C20H23ClN4O2/c1-27-18-8-7-15(11-16(18)21)25-20(26)17-12-24-19(13-23-17)22-10-9-14-5-3-2-4-6-14/h5,7-8,11-13H,2-4,6,9-10H2,1H3,(H,22,24)(H,25,26)
InChIKeyGRFCFESAUBKRLV-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.69
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109275603) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
PubChem CID109275603
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)cn2)cc1Cl
InChIInChI=1S/C20H23ClN4O2/c1-27-18-8-7-15(11-16(18)21)25-20(26)17-12-24-19(13-23-17)22-10-9-14-5-3-2-4-6-14/h5,7-8,11-13H,2-4,6,9-10H2,1H3,(H,22,24)(H,25,26)
InChIKeyGRFCFESAUBKRLV-UHFFFAOYSA-N
XLogP4.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109275614
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275595
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275644
methyl 2-[[5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109275623
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109299423
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132844
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
CID 109275648
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide (CID 109275603) is N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is GRFCFESAUBKRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-27-18-8-7-15(11-16(18)21)25-20(26)17-12-24-19(13-23-17)22-10-9-14-5-3-2-4-6-14/h5,7-8,11-13H,2-4,6,9-10H2,1H3,(H,22,24)(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109275603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).