(2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C15H21N3O4S — CID 134689226

IUPAC(2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ncccc1NC(=O)[C@H]1C[C@H]2CCN(S(C)(=O)=O)C[C@@H]2O1
InChIInChI=1S/C15H21N3O4S/c1-10-12(4-3-6-16-10)17-15(19)13-8-11-5-7-18(23(2,20)21)9-14(11)22-13/h3-4,6,11,13-14H,5,7-9H2,1-2H3,(H,17,19)/t11-,13-,14+/m1/s1
InChIKeyHEKKHGJWINEWTD-BNOWGMLFSA-N
MW339.42 g/mol
LogP0.77
Rot. Bonds3

About (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 134689226) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID134689226
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ncccc1NC(=O)[C@H]1C[C@H]2CCN(S(C)(=O)=O)C[C@@H]2O1
InChIInChI=1S/C15H21N3O4S/c1-10-12(4-3-6-16-10)17-15(19)13-8-11-5-7-18(23(2,20)21)9-14(11)22-13/h3-4,6,11,13-14H,5,7-9H2,1-2H3,(H,17,19)/t11-,13-,14+/m1/s1
InChIKeyHEKKHGJWINEWTD-BNOWGMLFSA-N
XLogP0.77
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

(2R,3aS,7aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388695
(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
(2R,3aS,7aS)-N-(2-methyl-3-pyridinyl)-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155845050
(2S,3aS,7aS)-6-(dimethylsulfamoyl)-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155876589
(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
(2S,3aS,7aR)-N-cyclobutyl-6-(6-methylpyridine-3-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155874111
(2R,3aS,7aR)-6-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366937
(3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97364680
(4R,4aR,8aR)-6-acetyl-N-(2-methyl-3-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367094
(4S,4aR,8aS)-6-acetyl-N-(2-methyl-3-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 124797763
(2R,3aS,7aS)-6-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877537
(2S,3aS,7aS)-6-cyclopropylsulfonyl-N-(2-pyridin-4-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155879446

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 134689226) is (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is Cc1ncccc1NC(=O)[C@H]1C[C@H]2CCN(S(C)(=O)=O)C[C@@H]2O1.
What is the InChIKey of (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HEKKHGJWINEWTD-BNOWGMLFSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-10-12(4-3-6-16-10)17-15(19)13-8-11-5-7-18(23(2,20)21)9-14(11)22-13/h3-4,6,11,13-14H,5,7-9H2,1-2H3,(H,17,19)/t11-,13-,14+/m1/s1.
What are the key properties of (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-N-(2-methyl-3-pyridinyl)-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 134689226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).