5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

C20H20FN5O — CID 109281641

IUPAC5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(Nc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H20FN5O/c1-26(2)17-9-7-16(8-10-17)25-19-13-22-18(12-23-19)20(27)24-11-14-3-5-15(21)6-4-14/h3-10,12-13H,11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyITEQLBPAWIUCTF-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.36
Rot. Bonds6

About 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109281641) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109281641
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(Nc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H20FN5O/c1-26(2)17-9-7-16(8-10-17)25-19-13-22-18(12-23-19)20(27)24-11-14-3-5-15(21)6-4-14/h3-10,12-13H,11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyITEQLBPAWIUCTF-UHFFFAOYSA-N
XLogP3.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.36
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-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281597
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
methyl 2-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109281638
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272170
N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
CID 109293760
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 109281641) is 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is CN(C)c1ccc(Nc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is ITEQLBPAWIUCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-26(2)17-9-7-16(8-10-17)25-19-13-22-18(12-23-19)20(27)24-11-14-3-5-15(21)6-4-14/h3-10,12-13H,11H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).