N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide

C16H19N3O4 — CID 91909704

IUPACN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1ccoc1
InChIInChI=1S/C16H19N3O4/c1-22-8-6-19-13(9-17-15(20)12-4-7-23-11-12)10-18-5-2-3-14(18)16(19)21/h2-5,7,11,13H,6,8-10H2,1H3,(H,17,20)
InChIKeyGZBDETRUBXWSFG-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.98
Rot. Bonds6

About N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide (PubChem CID 91909704) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide
PubChem CID91909704
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1ccoc1
InChIInChI=1S/C16H19N3O4/c1-22-8-6-19-13(9-17-15(20)12-4-7-23-11-12)10-18-5-2-3-14(18)16(19)21/h2-5,7,11,13H,6,8-10H2,1H3,(H,17,20)
InChIKeyGZBDETRUBXWSFG-UHFFFAOYSA-N
XLogP0.98
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide with MolForge

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Related Compounds

(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-3-yl-methanone
CID 42606461
2-methyl-N-(2-pyridinylmethyl)-3-furamide
CID 896600
N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 3220007
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 3237419
2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 72696908
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide
CID 24980922
US9617282, Example 53
CID 86299716
US9617282, Example 54
CID 86299717
US9617282, Example 58
CID 86299790
6-(Furan-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 867016
N-(2-pyridylmethyl)furan-3-carboxamide
CID 16729506
Furan-3-yl-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]methanone
CID 37807003

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide (CID 91909704) is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide is COCCN1C(=O)c2cccn2CC1CNC(=O)c1ccoc1.
What is the InChIKey of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is GZBDETRUBXWSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-8-6-19-13(9-17-15(20)12-4-7-23-11-12)10-18-5-2-3-14(18)16(19)21/h2-5,7,11,13H,6,8-10H2,1H3,(H,17,20).
What are the key properties of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide?
N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 91909704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).