(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C19H23N3O3 — CID 97408270

IUPAC(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1
InChIInChI=1S/C19H23N3O3/c23-19(21-10-16-3-1-2-6-20-16)17-9-15-4-7-22(12-18(15)25-17)11-14-5-8-24-13-14/h1-3,5-6,8,13,15,17-18H,4,7,9-12H2,(H,21,23)/t15-,17+,18-/m0/s1
InChIKeyAJLVOPJDYAIBMZ-JQHSSLGASA-N
MW341.41 g/mol
LogP1.97
Rot. Bonds5

About (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97408270) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97408270
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1
InChIInChI=1S/C19H23N3O3/c23-19(21-10-16-3-1-2-6-20-16)17-9-15-4-7-22(12-18(15)25-17)11-14-5-8-24-13-14/h1-3,5-6,8,13,15,17-18H,4,7,9-12H2,(H,21,23)/t15-,17+,18-/m0/s1
InChIKeyAJLVOPJDYAIBMZ-JQHSSLGASA-N
XLogP1.97
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-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,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
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388672
(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
(2R,3aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171695968
(2S,3aS,7aS)-6-(furan-3-ylmethyl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366695
(2S,3aR,7aR)-6-(furan-3-ylmethyl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124783043
(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
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155842193
[(2S,3aS,7aS)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366669
(2R,3aR,7aR)-6-[2-(dimethylamino)ethyl]-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124809776
(2S,3aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366745
(2S,3aS,7aS)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833620

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97408270) is (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1.
What is the InChIKey of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is AJLVOPJDYAIBMZ-JQHSSLGASA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(21-10-16-3-1-2-6-20-16)17-9-15-4-7-22(12-18(15)25-17)11-14-5-8-24-13-14/h1-3,5-6,8,13,15,17-18H,4,7,9-12H2,(H,21,23)/t15-,17+,18-/m0/s1.
What are the key properties of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97408270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).