5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide

C22H25N5O — CID 109289883

IUPAC5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)Nc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-11-9-17(10-12-19)25-21-15-23-20(14-24-21)22(28)26-18-8-6-7-16(3)13-18/h6-15H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyCJRDTGZOAYNHHY-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.63
Rot. Bonds7

About 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide

5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289883) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289883
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)Nc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-11-9-17(10-12-19)25-21-15-23-20(14-24-21)22(28)26-18-8-6-7-16(3)13-18/h6-15H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyCJRDTGZOAYNHHY-UHFFFAOYSA-N
XLogP4.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
CID 109287415
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide (CID 109289883) is 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide is CCN(CC)c1ccc(Nc2cnc(C(=O)Nc3cccc(C)c3)cn2)cc1.
What is the InChIKey of 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is CJRDTGZOAYNHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-27(5-2)19-11-9-17(10-12-19)25-21-15-23-20(14-24-21)22(28)26-18-8-6-7-16(3)13-18/h6-15H,4-5H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide?
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).