N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

C20H25N3O2 — CID 162408920

IUPACN-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESC[C@H](c1ccccc1)N1C(=O)Cn2cccc2C1C(=O)NC(C)(C)C
InChIInChI=1S/C20H25N3O2/c1-14(15-9-6-5-7-10-15)23-17(24)13-22-12-8-11-16(22)18(23)19(25)21-20(2,3)4/h5-12,14,18H,13H2,1-4H3,(H,21,25)/t14-,18?/m1/s1
InChIKeyIMVUXLXYMNCQKZ-IKJXHCRLSA-N
MW339.44 g/mol
LogP3.05
Rot. Bonds3

About N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 162408920) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID162408920
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESC[C@H](c1ccccc1)N1C(=O)Cn2cccc2C1C(=O)NC(C)(C)C
InChIInChI=1S/C20H25N3O2/c1-14(15-9-6-5-7-10-15)23-17(24)13-22-12-8-11-16(22)18(23)19(25)21-20(2,3)4/h5-12,14,18H,13H2,1-4H3,(H,21,25)/t14-,18?/m1/s1
InChIKeyIMVUXLXYMNCQKZ-IKJXHCRLSA-N
XLogP3.05
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (CID 162408920) is N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is C[C@H](c1ccccc1)N1C(=O)Cn2cccc2C1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is IMVUXLXYMNCQKZ-IKJXHCRLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(15-9-6-5-7-10-15)23-17(24)13-22-12-8-11-16(22)18(23)19(25)21-20(2,3)4/h5-12,14,18H,13H2,1-4H3,(H,21,25)/t14-,18?/m1/s1.
What are the key properties of N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-oxo-2-[(1R)-1-phenylethyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 162408920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).