3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide

C26H22F3N5O2 — CID 155209320

IUPAC3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCc3ccccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C26H22F3N5O2/c1-14-11-18(12-15(2)32-14)22-21(16-7-9-19(27)10-8-16)34-24(30)23(33-22)25(35)31-13-17-5-3-4-6-20(17)36-26(28)29/h3-12,26H,13H2,1-2H3,(H2,30,34)(H,31,35)
InChIKeyABDAOSLSFTUTMW-UHFFFAOYSA-N
MW493.49 g/mol
LogP5.08
Rot. Bonds7

About 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide

3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 155209320) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID155209320
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC Name3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCc3ccccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C26H22F3N5O2/c1-14-11-18(12-15(2)32-14)22-21(16-7-9-19(27)10-8-16)34-24(30)23(33-22)25(35)31-13-17-5-3-4-6-20(17)36-26(28)29/h3-12,26H,13H2,1-2H3,(H2,30,34)(H,31,35)
InChIKeyABDAOSLSFTUTMW-UHFFFAOYSA-N
XLogP5.08
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide (CID 155209320) is 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide is Cc1cc(-c2nc(C(=O)NCc3ccccc3OC(F)F)c(N)nc2-c2ccc(F)cc2)cc(C)n1.
What is the InChIKey of 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is ABDAOSLSFTUTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c1-14-11-18(12-15(2)32-14)22-21(16-7-9-19(27)10-8-16)34-24(30)23(33-22)25(35)31-13-17-5-3-4-6-20(17)36-26(28)29/h3-12,26H,13H2,1-2H3,(H2,30,34)(H,31,35).
What are the key properties of 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide?
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).