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

C21H23F2N5O3 — CID 78098471

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C21H23F2N5O3/c22-21(23)11-28(12-21)18-20(31-10-14-6-7-14)27-16(9-25-18)19(30)26-15(17(24)29)8-13-4-2-1-3-5-13/h1-5,9,14-15H,6-8,10-12H2,(H2,24,29)(H,26,30)
InChIKeyHYTQLVQAXRNXKA-UHFFFAOYSA-N
MW431.44 g/mol
LogP1.55
Rot. Bonds9

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

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (PubChem CID 78098471) has the molecular formula C21H23F2N5O3 and a molecular weight of 431.44 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
PubChem CID78098471
Molecular FormulaC21H23F2N5O3
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C21H23F2N5O3/c22-21(23)11-28(12-21)18-20(31-10-14-6-7-14)27-16(9-25-18)19(30)26-15(17(24)29)8-13-4-2-1-3-5-13/h1-5,9,14-15H,6-8,10-12H2,(H2,24,29)(H,26,30)
InChIKeyHYTQLVQAXRNXKA-UHFFFAOYSA-N
XLogP1.55
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 51.55
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
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
(1R,2R)-2-[2-(propan-2-ylamino)pyridin-4-yl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 67291164
2-[2-(propan-2-ylamino)pyridin-4-yl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 67291170
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 68236475
3-amino-N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 68236477

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (CID 78098471) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is HYTQLVQAXRNXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O3/c22-21(23)11-28(12-21)18-20(31-10-14-6-7-14)27-16(9-25-18)19(30)26-15(17(24)29)8-13-4-2-1-3-5-13/h1-5,9,14-15H,6-8,10-12H2,(H2,24,29)(H,26,30).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 78098471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).