N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide

C20H21N5O — CID 109275644

IUPACN-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(NCCC3=CCCCC3)cn2)c1
InChIInChI=1S/C20H21N5O/c21-12-16-7-4-8-17(11-16)25-20(26)18-13-24-19(14-23-18)22-10-9-15-5-2-1-3-6-15/h4-5,7-8,11,13-14H,1-3,6,9-10H2,(H,22,24)(H,25,26)
InChIKeyIFQRBXWNCXGNQS-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.90
Rot. Bonds6

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

N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109275644) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
PubChem CID109275644
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(NCCC3=CCCCC3)cn2)c1
InChIInChI=1S/C20H21N5O/c21-12-16-7-4-8-17(11-16)25-20(26)18-13-24-19(14-23-18)22-10-9-15-5-2-1-3-6-15/h4-5,7-8,11,13-14H,1-3,6,9-10H2,(H,22,24)(H,25,26)
InChIKeyIFQRBXWNCXGNQS-UHFFFAOYSA-N
XLogP3.90
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.90
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

N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183818
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
CID 109275648
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275603
N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275595
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109205532
6-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342563
methyl 2-[[5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109275623
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275561
N-(3-acetylphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342599
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109275614

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide (CID 109275644) is N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide is N#Cc1cccc(NC(=O)c2cnc(NCCC3=CCCCC3)cn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is IFQRBXWNCXGNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-12-16-7-4-8-17(11-16)25-20(26)18-13-24-19(14-23-18)22-10-9-15-5-2-1-3-6-15/h4-5,7-8,11,13-14H,1-3,6,9-10H2,(H,22,24)(H,25,26).
What are the key properties of N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide?
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109275644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).