N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

C20H25N3O3 — CID 91909149

IUPACN-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2CC(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)12-23-18(13-22-9-5-8-17(22)20(23)25)19(24)21-11-15-6-4-7-16(10-15)26-3/h4-10,14,18H,11-13H2,1-3H3,(H,21,24)
InChIKeyKEFGOEAALGDCJC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.29
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91909149) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91909149
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2CC(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)12-23-18(13-22-9-5-8-17(22)20(23)25)19(24)21-11-15-6-4-7-16(10-15)26-3/h4-10,14,18H,11-13H2,1-3H3,(H,21,24)
InChIKeyKEFGOEAALGDCJC-UHFFFAOYSA-N
XLogP2.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909217
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
(2S,3R,6S)-2-N-[(3-methoxyphenyl)methyl]-6-N-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-2,6-dicarboxamide
CID 146068928
2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 91919757
1-[[3-(difluoromethoxy)phenyl]methyl]-N-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carboxamide
CID 3606191
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91919704
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
(4S)-N-[(3-methoxyphenyl)methyl]-4-propan-2-yl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747512
methyl 4-[[(4S)-4-[(3-methoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851178

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91909149) is N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is COc1cccc(CNC(=O)C2Cn3cccc3C(=O)N2CC(C)C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is KEFGOEAALGDCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)12-23-18(13-22-9-5-8-17(22)20(23)25)19(24)21-11-15-6-4-7-16(10-15)26-3/h4-10,14,18H,11-13H2,1-3H3,(H,21,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91909149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).