(3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C16H22N4O3 — CID 97362817

IUPAC(3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cnc(C)cn2)C1
InChIInChI=1S/C16H22N4O3/c1-11-7-18-13(8-17-11)9-19-15(22)16-4-6-23-14(16)3-5-20(10-16)12(2)21/h7-8,14H,3-6,9-10H2,1-2H3,(H,19,22)/t14-,16-/m1/s1
InChIKeyVZEOFIGXIBMIPF-GDBMZVCRSA-N
MW318.38 g/mol
LogP0.43
Rot. Bonds3

About (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362817) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362817
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cnc(C)cn2)C1
InChIInChI=1S/C16H22N4O3/c1-11-7-18-13(8-17-11)9-19-15(22)16-4-6-23-14(16)3-5-20(10-16)12(2)21/h7-8,14H,3-6,9-10H2,1-2H3,(H,19,22)/t14-,16-/m1/s1
InChIKeyVZEOFIGXIBMIPF-GDBMZVCRSA-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 (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (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) is (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cnc(C)cn2)C1.
What is the InChIKey of (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is VZEOFIGXIBMIPF-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-7-18-13(8-17-11)9-19-15(22)16-4-6-23-14(16)3-5-20(10-16)12(2)21/h7-8,14H,3-6,9-10H2,1-2H3,(H,19,22)/t14-,16-/m1/s1.
What are the key properties of (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-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 (3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).