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

C16H24N4O2 — CID 97387673

IUPAC2-[(3aR,7S,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(C)C[C@@H]23)cn1
InChIInChI=1S/C16H24N4O2/c1-11-4-18-14(5-17-11)6-19-16(21)3-12-9-22-10-13-7-20(2)8-15(12)13/h4-5,12-13,15H,3,6-10H2,1-2H3,(H,19,21)/t12-,13-,15+/m1/s1
InChIKeyQUSKMPMAJPNESO-NFAWXSAZSA-N
MW304.39 g/mol
LogP0.62
Rot. Bonds4

About 2-[(3aR,7S,7aS)-2-methyl-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-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 97387673) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(3aR,7S,7aS)-2-methyl-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-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID97387673
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[(3aR,7S,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(C)C[C@@H]23)cn1
InChIInChI=1S/C16H24N4O2/c1-11-4-18-14(5-17-11)6-19-16(21)3-12-9-22-10-13-7-20(2)8-15(12)13/h4-5,12-13,15H,3,6-10H2,1-2H3,(H,19,21)/t12-,13-,15+/m1/s1
InChIKeyQUSKMPMAJPNESO-NFAWXSAZSA-N
XLogP0.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aR,7S,7aS)-2-methyl-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-methyl-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-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 97387673) is 2-[(3aR,7S,7aS)-2-methyl-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-methyl-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-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(C)C[C@@H]23)cn1.
What is the InChIKey of 2-[(3aR,7S,7aS)-2-methyl-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 QUSKMPMAJPNESO-NFAWXSAZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-4-18-14(5-17-11)6-19-16(21)3-12-9-22-10-13-7-20(2)8-15(12)13/h4-5,12-13,15H,3,6-10H2,1-2H3,(H,19,21)/t12-,13-,15+/m1/s1.
What are the key properties of 2-[(3aR,7S,7aS)-2-methyl-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-methyl-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 304.39 g/mol, XLogP of 0.62, 4 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-methyl-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 97387673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).