2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

C22H22N4O2 — CID 91909173

IUPAC2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NCCc1ccncc1)C1Cn2cccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21(24-13-10-17-8-11-23-12-9-17)20-16-25-14-4-7-19(25)22(28)26(20)15-18-5-2-1-3-6-18/h1-9,11-12,14,20H,10,13,15-16H2,(H,24,27)
InChIKeyNTFXCPMCLQJANQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.27
Rot. Bonds6

About 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91909173) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91909173
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NCCc1ccncc1)C1Cn2cccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21(24-13-10-17-8-11-23-12-9-17)20-16-25-14-4-7-19(25)22(28)26(20)15-18-5-2-1-3-6-18/h1-9,11-12,14,20H,10,13,15-16H2,(H,24,27)
InChIKeyNTFXCPMCLQJANQ-UHFFFAOYSA-N
XLogP2.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91919767
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909188
N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909217
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 46956875
2-methyl-N-(2-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-4-carboxamide
CID 131649352
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909149
N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 110876478
N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-3-phenylpropanamide
CID 91909713
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91909173) is 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is O=C(NCCc1ccncc1)C1Cn2cccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NTFXCPMCLQJANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(24-13-10-17-8-11-23-12-9-17)20-16-25-14-4-7-19(25)22(28)26(20)15-18-5-2-1-3-6-18/h1-9,11-12,14,20H,10,13,15-16H2,(H,24,27).
What are the key properties of 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91909173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).