(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

C18H26N4O2 — CID 97366570

IUPAC(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
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCC4)C[C@H]3O2)cn1
InChIInChI=1S/C18H26N4O2/c1-12-8-20-14(9-19-12)10-21-18(23)16-7-13-5-6-22(11-17(13)24-16)15-3-2-4-15/h8-9,13,15-17H,2-7,10-11H2,1H3,(H,21,23)/t13-,16+,17+/m0/s1
InChIKeyFRHLTZDKKWGODP-IAOVAPTHSA-N
MW330.43 g/mol
LogP1.43
Rot. Bonds4

About (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

(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 (PubChem CID 97366570) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97366570
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(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
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCC4)C[C@H]3O2)cn1
InChIInChI=1S/C18H26N4O2/c1-12-8-20-14(9-19-12)10-21-18(23)16-7-13-5-6-22(11-17(13)24-16)15-3-2-4-15/h8-9,13,15-17H,2-7,10-11H2,1H3,(H,21,23)/t13-,16+,17+/m0/s1
InChIKeyFRHLTZDKKWGODP-IAOVAPTHSA-N
XLogP1.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCC4)C[C@H]3O2)cn1.
What is the InChIKey of (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?
The InChIKey is FRHLTZDKKWGODP-IAOVAPTHSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-8-20-14(9-19-12)10-21-18(23)16-7-13-5-6-22(11-17(13)24-16)15-3-2-4-15/h8-9,13,15-17H,2-7,10-11H2,1H3,(H,21,23)/t13-,16+,17+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 330.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97366570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).