5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide

C18H25N5O — CID 109277983

IUPAC5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H25N5O/c1-4-14-6-8-15(9-7-14)22-18(24)16-12-21-17(13-20-16)19-10-5-11-23(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)(H,22,24)
InChIKeyNDECSSIVCVGVNR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.65
Rot. Bonds8

About 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide

5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 109277983) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
PubChem CID109277983
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H25N5O/c1-4-14-6-8-15(9-7-14)22-18(24)16-12-21-17(13-20-16)19-10-5-11-23(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)(H,22,24)
InChIKeyNDECSSIVCVGVNR-UHFFFAOYSA-N
XLogP2.65
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995
N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283696
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109277924
5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271171
5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109277421
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272741
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide (CID 109277983) is 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide is CCc1ccc(NC(=O)c2cnc(NCCCN(C)C)cn2)cc1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is NDECSSIVCVGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-14-6-8-15(9-7-14)22-18(24)16-12-21-17(13-20-16)19-10-5-11-23(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)(H,22,24).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide?
5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109277983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).