N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H25N3O2 — CID 22510383

IUPACN-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCn3c(C)ccc3C2CC)cc1
InChIInChI=1S/C19H25N3O2/c1-4-17-18-11-6-14(3)21(18)12-13-22(17)19(23)20-15-7-9-16(10-8-15)24-5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,20,23)
InChIKeyVXRFPIWGDAXZGH-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.19
Rot. Bonds4

About N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 22510383) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID22510383
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCn3c(C)ccc3C2CC)cc1
InChIInChI=1S/C19H25N3O2/c1-4-17-18-11-6-14(3)21(18)12-13-22(17)19(23)20-15-7-9-16(10-8-15)24-5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,20,23)
InChIKeyVXRFPIWGDAXZGH-UHFFFAOYSA-N
XLogP4.19
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

ethyl 4-[[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
CID 92703552
(1R)-N-(3-methoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703545
(1R)-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589895
(1R)-N-(4-ethoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387337
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
CID 92703543
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810903
N-(2-ethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510469
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 22510383) is N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCOc1ccc(NC(=O)N2CCn3c(C)ccc3C2CC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is VXRFPIWGDAXZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-17-18-11-6-14(3)21(18)12-13-22(17)19(23)20-15-7-9-16(10-8-15)24-5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 22510383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).