2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C17H26N4O2 — CID 97387674

IUPAC2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCCN1C[C@@H]2COC[C@@H](CC(=O)NCc3cnc(C)cn3)[C@@H]2C1
InChIInChI=1S/C17H26N4O2/c1-3-21-8-14-11-23-10-13(16(14)9-21)4-17(22)20-7-15-6-18-12(2)5-19-15/h5-6,13-14,16H,3-4,7-11H2,1-2H3,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeyCSJNODYBKQWREM-FMKPAKJESA-N
MW318.42 g/mol
LogP1.01
Rot. Bonds5

About 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 97387674) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID97387674
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCCN1C[C@@H]2COC[C@@H](CC(=O)NCc3cnc(C)cn3)[C@@H]2C1
InChIInChI=1S/C17H26N4O2/c1-3-21-8-14-11-23-10-13(16(14)9-21)4-17(22)20-7-15-6-18-12(2)5-19-15/h5-6,13-14,16H,3-4,7-11H2,1-2H3,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeyCSJNODYBKQWREM-FMKPAKJESA-N
XLogP1.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide with MolForge

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Related Compounds

(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide
CID 97362816
(3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362817
(3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362818
2-[(3aR,7S,7aS)-2-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(2-methoxyethyl)acetamide
CID 97379916
2-[(3aR,7S,7aS)-2-cyclobutyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 97387676
7-[(5-Methylpyrazin-2-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72866099
(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 131688619
(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131689390
(1R*,5S*,6r)-3-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56909307
2-[(5-Methylpyrazin-2-yl)methyl]-9-[2-(tetrahydrofuran-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70749036
N-{rel-(3R,4S)-1-[(5-methyl-2-pyrazinyl)methyl]-4-propyl-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72907159
2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97133581

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 97387674) is 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is CCN1C[C@@H]2COC[C@@H](CC(=O)NCc3cnc(C)cn3)[C@@H]2C1.
What is the InChIKey of 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is CSJNODYBKQWREM-FMKPAKJESA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-21-8-14-11-23-10-13(16(14)9-21)4-17(22)20-7-15-6-18-12(2)5-19-15/h5-6,13-14,16H,3-4,7-11H2,1-2H3,(H,20,22)/t13-,14-,16+/m1/s1.
What are the key properties of 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7S,7aS)-2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 97387674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).