N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

C20H21F2N5O3 — CID 78098392

IUPACN-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESNC(=O)C(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1
InChIInChI=1S/C20H21F2N5O3/c21-20(22)10-27(11-20)17-19(30-9-12-6-7-12)25-14(8-24-17)18(29)26-15(16(23)28)13-4-2-1-3-5-13/h1-5,8,12,15H,6-7,9-11H2,(H2,23,28)(H,26,29)
InChIKeyROZWRGFLJMJOOI-UHFFFAOYSA-N
MW417.42 g/mol
LogP1.68
Rot. Bonds8

About N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (PubChem CID 78098392) has the molecular formula C20H21F2N5O3 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
PubChem CID78098392
Molecular FormulaC20H21F2N5O3
Molecular Weight417.42 g/mol
Exact Mass417.16
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESNC(=O)C(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1
InChIInChI=1S/C20H21F2N5O3/c21-20(22)10-27(11-20)17-19(30-9-12-6-7-12)25-14(8-24-17)18(29)26-15(16(23)28)13-4-2-1-3-5-13/h1-5,8,12,15H,6-7,9-11H2,(H2,23,28)(H,26,29)
InChIKeyROZWRGFLJMJOOI-UHFFFAOYSA-N
XLogP1.68
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyrazine-2-carboxylic acid ((S)-carbamoyl-phenyl-methyl)-amide
CID 71525669
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71525851
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 71525946
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 71526033
N-[(2S)-1-amino-1-oxo-2-phenylpropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71526130
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71526221
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid [(S)-carbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 71526222
N-[(1S)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71526311
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-methyl-4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 71526660
N-[3-[(Z)-2-phenylethenyl]-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]benzamide
CID 49790868
2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448661
2-amino-6-[5-[2-(3-amino-5-ethoxypyrazin-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448951

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (CID 78098392) is N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is NC(=O)C(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is ROZWRGFLJMJOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3/c21-20(22)10-27(11-20)17-19(30-9-12-6-7-12)25-14(8-24-17)18(29)26-15(16(23)28)13-4-2-1-3-5-13/h1-5,8,12,15H,6-7,9-11H2,(H2,23,28)(H,26,29).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 78098392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).