N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide

C18H21N3O2 — CID 91920322

IUPACN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC2Cn3cccc3C(=O)N2C)c1
InChIInChI=1S/C18H21N3O2/c1-13-5-3-6-14(9-13)10-17(22)19-11-15-12-21-8-4-7-16(21)18(23)20(15)2/h3-9,15H,10-12H2,1-2H3,(H,19,22)
InChIKeyWMVPJSVVEACKRR-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.61
Rot. Bonds4

About N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide

N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide (PubChem CID 91920322) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide
PubChem CID91920322
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC2Cn3cccc3C(=O)N2C)c1
InChIInChI=1S/C18H21N3O2/c1-13-5-3-6-14(9-13)10-17(22)19-11-15-12-21-8-4-7-16(21)18(23)20(15)2/h3-9,15H,10-12H2,1-2H3,(H,19,22)
InChIKeyWMVPJSVVEACKRR-UHFFFAOYSA-N
XLogP1.61
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909099
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 128990795
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 40895927
N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 95204337
N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide
CID 91920410
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide
CID 154876201
2-(3-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730070
N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 114211535
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide (CID 91920322) is N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC2Cn3cccc3C(=O)N2C)c1.
What is the InChIKey of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is WMVPJSVVEACKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-3-6-14(9-13)10-17(22)19-11-15-12-21-8-4-7-16(21)18(23)20(15)2/h3-9,15H,10-12H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide?
N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 91920322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).