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

C22H24FN5O — CID 109294376

IUPACN-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)cn2)c(C)c1
InChIInChI=1S/C22H24FN5O/c1-4-28(5-2)18-9-10-19(15(3)11-18)27-22(29)20-13-25-21(14-24-20)26-17-8-6-7-16(23)12-17/h6-14H,4-5H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyHBWMURHDKJBOJG-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.77
Rot. Bonds7

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

N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide (PubChem CID 109294376) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
PubChem CID109294376
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)cn2)c(C)c1
InChIInChI=1S/C22H24FN5O/c1-4-28(5-2)18-9-10-19(15(3)11-18)27-22(29)20-13-25-21(14-24-20)26-17-8-6-7-16(23)12-17/h6-14H,4-5H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyHBWMURHDKJBOJG-UHFFFAOYSA-N
XLogP4.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.77
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

N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
N-[4-(diethylamino)-2-methylphenyl]-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357981
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide (CID 109294376) is N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)cn2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The InChIKey is HBWMURHDKJBOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-4-28(5-2)18-9-10-19(15(3)11-18)27-22(29)20-13-25-21(14-24-20)26-17-8-6-7-16(23)12-17/h6-14H,4-5H2,1-3H3,(H,25,26)(H,27,29).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).