5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

C20H24N6O2 — CID 109294643

IUPAC5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)Nc3cc(C)on3)cn2)c(C)c1
InChIInChI=1S/C20H24N6O2/c1-5-26(6-2)15-7-8-16(13(3)9-15)23-19-12-21-17(11-22-19)20(27)24-18-10-14(4)28-25-18/h7-12H,5-6H2,1-4H3,(H,22,23)(H,24,25,27)
InChIKeyQQYKYFZTMBYARX-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.92
Rot. Bonds7

About 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (PubChem CID 109294643) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
PubChem CID109294643
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)Nc3cc(C)on3)cn2)c(C)c1
InChIInChI=1S/C20H24N6O2/c1-5-26(6-2)15-7-8-16(13(3)9-15)23-19-12-21-17(11-22-19)20(27)24-18-10-14(4)28-25-18/h7-12H,5-6H2,1-4H3,(H,22,23)(H,24,25,27)
InChIKeyQQYKYFZTMBYARX-UHFFFAOYSA-N
XLogP3.92
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200907
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393
N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109293991
2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144211
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294607
N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289101

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (CID 109294643) is 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is CCN(CC)c1ccc(Nc2cnc(C(=O)Nc3cc(C)on3)cn2)c(C)c1.
What is the InChIKey of 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is QQYKYFZTMBYARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-5-26(6-2)15-7-8-16(13(3)9-15)23-19-12-21-17(11-22-19)20(27)24-18-10-14(4)28-25-18/h7-12H,5-6H2,1-4H3,(H,22,23)(H,24,25,27).
What are the key properties of 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).