3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide

C24H18F3N5O2 — CID 146386583

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H18F3N5O2/c1-32-12-14(7-10-19(32)33)21-20(13-5-8-15(25)9-6-13)31-23(28)22(30-21)24(34)29-11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34)
InChIKeyWMTYEJRWAPGQDY-UHFFFAOYSA-N
MW465.44 g/mol
LogP3.44
Rot. Bonds5

About 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide

3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 146386583) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID146386583
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H18F3N5O2/c1-32-12-14(7-10-19(32)33)21-20(13-5-8-15(25)9-6-13)31-23(28)22(30-21)24(34)29-11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34)
InChIKeyWMTYEJRWAPGQDY-UHFFFAOYSA-N
XLogP3.44
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
1,3-Dimethyl-6,7-diphenylpteridine-2,4-dione
CID 343659
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyridin-1-yl)-acetamide
CID 9865994
3-Amino-n,6-diphenylpyrazine-2-carboxamide
CID 46834296
3-amino-6-(2-fluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 68187361
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-phenylpyrazine-2-carboxamide
CID 68187445
3-amino-N-cyclohexyl-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 9861510
3-amino-N-(sec-butyl)-6-phenyl-2-pyrazinecarboxamide
CID 13915476
3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 71451228
3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide
CID 122185547
3-amino-N-pentan-2-yl-6-phenylpyrazine-2-carboxamide
CID 122185549
3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 122185555

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (CID 146386583) is 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is WMTYEJRWAPGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c1-32-12-14(7-10-19(32)33)21-20(13-5-8-15(25)9-6-13)31-23(28)22(30-21)24(34)29-11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 465.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).