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

C14H20N4O2 — CID 97366780

IUPAC(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCNC[C@H]3O2)cn1
InChIInChI=1S/C14H20N4O2/c1-9-5-17-11(6-16-9)7-18-14(19)12-4-10-2-3-15-8-13(10)20-12/h5-6,10,12-13,15H,2-4,7-8H2,1H3,(H,18,19)/t10-,12-,13+/m0/s1
InChIKeyXSJNVMQQVFYLLM-WCFLWFBJSA-N
MW276.34 g/mol
LogP0.17
Rot. Bonds3

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

(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide (PubChem CID 97366780) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide
PubChem CID97366780
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCNC[C@H]3O2)cn1
InChIInChI=1S/C14H20N4O2/c1-9-5-17-11(6-16-9)7-18-14(19)12-4-10-2-3-15-8-13(10)20-12/h5-6,10,12-13,15H,2-4,7-8H2,1H3,(H,18,19)/t10-,12-,13+/m0/s1
InChIKeyXSJNVMQQVFYLLM-WCFLWFBJSA-N
XLogP0.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(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
(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824237
(2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155837006
(2S,3aS,7aS)-6-(2-ethoxyethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840303
(2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155841137
(2R,3aS,7aS)-6-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850097
5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxolane-2-carboxamide
CID 80009681
rel-(2R,3aS,7aS)-N-((5-methylpyrazin-2-yl)methyl)octahydrofuro[2,3-c]pyridine-2-carboxamide
CID 97366567
(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366569
(2R,3aS,7aS)-6-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366570
(2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366571
(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366781

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide (CID 97366780) is (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide is Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCNC[C@H]3O2)cn1.
What is the InChIKey of (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide?
The InChIKey is XSJNVMQQVFYLLM-WCFLWFBJSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-5-17-11(6-16-9)7-18-14(19)12-4-10-2-3-15-8-13(10)20-12/h5-6,10,12-13,15H,2-4,7-8H2,1H3,(H,18,19)/t10-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).