5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide

C21H23N5O2 — CID 109277421

IUPAC5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
SMILESCN(C)CCNc1cnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C21H23N5O2/c1-26(2)13-12-22-20-15-23-19(14-24-20)21(27)25-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)(H,25,27)
InChIKeyWCCUSILKNMVKKR-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.49
Rot. Bonds8

About 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide

5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109277421) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
PubChem CID109277421
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
SMILESCN(C)CCNc1cnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C21H23N5O2/c1-26(2)13-12-22-20-15-23-19(14-24-20)21(27)25-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)(H,25,27)
InChIKeyWCCUSILKNMVKKR-UHFFFAOYSA-N
XLogP3.49
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109277408
5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109277983
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 109277429
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide (CID 109277421) is 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide is CN(C)CCNc1cnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is WCCUSILKNMVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26(2)13-12-22-20-15-23-19(14-24-20)21(27)25-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)(H,25,27).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109277421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).