methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate

C19H23N3O3 — CID 3237097

IUPACmethyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C19H23N3O3/c1-4-16-17-10-9-13(2)21(17)11-12-22(16)19(24)20-15-8-6-5-7-14(15)18(23)25-3/h5-10,16H,4,11-12H2,1-3H3,(H,20,24)
InChIKeyGTVHFTZVJZHCSG-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.58
Rot. Bonds3

About methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate

methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate (PubChem CID 3237097) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate
PubChem CID3237097
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C19H23N3O3/c1-4-16-17-10-9-13(2)21(17)11-12-22(16)19(24)20-15-8-6-5-7-14(15)18(23)25-3/h5-10,16H,4,11-12H2,1-3H3,(H,20,24)
InChIKeyGTVHFTZVJZHCSG-UHFFFAOYSA-N
XLogP3.58
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

benzyl 1-methyl-6-(methylcarbamoyl)-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine-2-carboxylate
CID 43810584
1-Cyclohexylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester
CID 645611
2-(3-Pyridin-3-yl-ureido)-benzoic acid methyl ester
CID 647380
ethyl 2-[(1-acetyl-1H-indol-3-yl)amino]benzoate
CID 878641
Methyl 2-({[(3-pyridinylmethyl)amino]carbonyl}amino)benzoate
CID 970862
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
Methyl 2-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 2206454
ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2377074
Methyl 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
CID 2949967
Methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
CID 3155647
ethyl 2-{[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)carbonyl]amino}benzoate
CID 3241563
ethyl 1-[2-(tert-butylamino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 4117540

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate (CID 3237097) is methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate is CCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate?
The InChIKey is GTVHFTZVJZHCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-16-17-10-9-13(2)21(17)11-12-22(16)19(24)20-15-8-6-5-7-14(15)18(23)25-3/h5-10,16H,4,11-12H2,1-3H3,(H,20,24).
What are the key properties of methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate?
methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 3237097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).