5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide

C22H25N5O — CID 109290262

IUPAC5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-17(12-14-19)25-21-16-23-20(15-24-21)22(28)26(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,24,25)
InChIKeyXWCYUFZKOYUBJP-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.34
Rot. Bonds7

About 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide

5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109290262) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
PubChem CID109290262
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-17(12-14-19)25-21-16-23-20(15-24-21)22(28)26(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,24,25)
InChIKeyXWCYUFZKOYUBJP-UHFFFAOYSA-N
XLogP4.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
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

methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109286874
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
5-(2-ethoxyanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290242
5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290211
5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290226
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109290299
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide (CID 109290262) is 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide is CCN(CC)c1ccc(Nc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1.
What is the InChIKey of 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is XWCYUFZKOYUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-17(12-14-19)25-21-16-23-20(15-24-21)22(28)26(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,24,25).
What are the key properties of 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide?
5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109290262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).