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

C19H21FN4O2 — CID 97388605

IUPAC(2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(Cc3cccc(F)c3)C[C@H]2O1
InChIInChI=1S/C19H21FN4O2/c20-15-3-1-2-13(8-15)11-24-7-4-14-9-16(26-17(14)12-24)19(25)23-18-10-21-5-6-22-18/h1-3,5-6,8,10,14,16-17H,4,7,9,11-12H2,(H,22,23,25)/t14-,16-,17+/m0/s1
InChIKeyUUMCTSXFGHGDBT-BHYGNILZSA-N
MW356.40 g/mol
LogP2.23
Rot. Bonds4

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

(2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97388605) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97388605
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name(2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(Cc3cccc(F)c3)C[C@H]2O1
InChIInChI=1S/C19H21FN4O2/c20-15-3-1-2-13(8-15)11-24-7-4-14-9-16(26-17(14)12-24)19(25)23-18-10-21-5-6-22-18/h1-3,5-6,8,10,14,16-17H,4,7,9,11-12H2,(H,22,23,25)/t14-,16-,17+/m0/s1
InChIKeyUUMCTSXFGHGDBT-BHYGNILZSA-N
XLogP2.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S,3aR,7aR)-6-[(5-ethylfuran-2-yl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124914052
(2S,3aS,7aR)-N-pyridin-3-yl-6-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 155845052
(2R,3aS,7aR)-N-pyridin-3-yl-6-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 155824288
(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131687089
(2S,3aR,7aR)-N-pyridin-3-yl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781922
(2S,3aR,7aR)-N-cyclobutyl-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124786275
(2R,3aS,7aS)-N-cyclopropyl-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155902655
(2S,3aS,7aS)-6-benzyl-N-cyclopropyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366737
(2R,3aR,7aR)-6-ethyl-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124830487
(2R,3aS,7aR)-N-pyridin-3-yl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388674
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
(2S,3aS,7aS)-N-cyclopropyl-6-[(3-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850095

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97388605) is (2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-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-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(Cc3cccc(F)c3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UUMCTSXFGHGDBT-BHYGNILZSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-3-1-2-13(8-15)11-24-7-4-14-9-16(26-17(14)12-24)19(25)23-18-10-21-5-6-22-18/h1-3,5-6,8,10,14,16-17H,4,7,9,11-12H2,(H,22,23,25)/t14-,16-,17+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97388605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).