N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide

C20H28N4O — CID 109287912

IUPACN-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(NCCC(C)C)cn1
InChIInChI=1S/C20H28N4O/c1-5-15-8-7-9-16(6-2)19(15)24-20(25)17-12-23-18(13-22-17)21-11-10-14(3)4/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyQKJJDOWLTCBTDS-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.31
Rot. Bonds8

About N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide

N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide (PubChem CID 109287912) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
PubChem CID109287912
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(NCCC(C)C)cn1
InChIInChI=1S/C20H28N4O/c1-5-15-8-7-9-16(6-2)19(15)24-20(25)17-12-23-18(13-22-17)21-11-10-14(3)4/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyQKJJDOWLTCBTDS-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287947
5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109287893
5-(cyclopropylamino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109271857
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909
methyl 3-[[5-(3-methylbutylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287950
5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 107371744
N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195704
N-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide (CID 109287912) is N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cnc(NCCC(C)C)cn1.
What is the InChIKey of N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The InChIKey is QKJJDOWLTCBTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-15-8-7-9-16(6-2)19(15)24-20(25)17-12-23-18(13-22-17)21-11-10-14(3)4/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,21,23)(H,24,25).
What are the key properties of N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide?
N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).