(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C16H22N4O3 — CID 155877203

IUPAC(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCC(=O)N1CC[C@H]2C[C@@H](C(=O)NCc3cnc(C)cn3)O[C@@H]2C1
InChIInChI=1S/C16H22N4O3/c1-10-6-18-13(7-17-10)8-19-16(22)14-5-12-3-4-20(11(2)21)9-15(12)23-14/h6-7,12,14-15H,3-5,8-9H2,1-2H3,(H,19,22)/t12-,14-,15+/m0/s1
InChIKeyXSRHJRVPOBHVBM-AEGPPILISA-N
MW318.38 g/mol
LogP0.43
Rot. Bonds3

About (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 155877203) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID155877203
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCC(=O)N1CC[C@H]2C[C@@H](C(=O)NCc3cnc(C)cn3)O[C@@H]2C1
InChIInChI=1S/C16H22N4O3/c1-10-6-18-13(7-17-10)8-19-16(22)14-5-12-3-4-20(11(2)21)9-15(12)23-14/h6-7,12,14-15H,3-5,8-9H2,1-2H3,(H,19,22)/t12-,14-,15+/m0/s1
InChIKeyXSRHJRVPOBHVBM-AEGPPILISA-N
XLogP0.43
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

(2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155874668
(2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97461090
5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688468
(2R,3aR,7aR)-6-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124813109
(2S,3aS,7aR)-N-cyclobutyl-6-(6-methylpyridine-3-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155874111
(2S,3aR,7aR)-N-(furan-2-ylmethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131682949
(2S,3aR,7aR)-N-(furan-2-ylmethyl)-6-(1H-pyrrole-3-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131682993
(2R,3aS,7aS)-N-(furan-2-ylmethyl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366549
1-(2-methoxyacetyl)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide
CID 72863250
(2S,3aR,7aS)-N-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781350
(2S,3aR,7aR)-6-(oxan-4-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124783187
N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893002

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 155877203) is (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is CC(=O)N1CC[C@H]2C[C@@H](C(=O)NCc3cnc(C)cn3)O[C@@H]2C1.
What is the InChIKey of (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is XSRHJRVPOBHVBM-AEGPPILISA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-6-18-13(7-17-10)8-19-16(22)14-5-12-3-4-20(11(2)21)9-15(12)23-14/h6-7,12,14-15H,3-5,8-9H2,1-2H3,(H,19,22)/t12-,14-,15+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155877203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).