(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C17H24N2O2S — CID 97380298

IUPAC(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1
InChIInChI=1S/C17H24N2O2S/c20-17(18-8-12-1-2-12)14-7-16-15(3-5-21-16)19(10-14)9-13-4-6-22-11-13/h4,6,11-12,14-16H,1-3,5,7-10H2,(H,18,20)/t14-,15+,16+/m0/s1
InChIKeyWFUMTNUTUXGOLI-ARFHVFGLSA-N
MW320.46 g/mol
LogP2.25
Rot. Bonds5

About (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 97380298) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID97380298
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1
InChIInChI=1S/C17H24N2O2S/c20-17(18-8-12-1-2-12)14-7-16-15(3-5-21-16)19(10-14)9-13-4-6-22-11-13/h4,6,11-12,14-16H,1-3,5,7-10H2,(H,18,20)/t14-,15+,16+/m0/s1
InChIKeyWFUMTNUTUXGOLI-ARFHVFGLSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

[(3aR,5R,7aR)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 97380195
N-[(3R,3aR,7aR)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]cyclopropanecarboxamide
CID 97460410
N-[(3S,3aR,7aR)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]cyclopropanecarboxamide
CID 97461341
(3aR,5R,7aR)-N-cyclopropyl-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461731
(3aR,6S,7aR)-N-cyclopropyl-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155825055
(3aR,5S,7aR)-N-(cyclopropylmethyl)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155829066
[(3aR,6S,7aR)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155829361
(3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 134689348
(3aS,6S,7aS)-4-(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 134689962
(3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 134689998
(3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 134690047
(3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 134690061

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 97380298) is (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1.
What is the InChIKey of (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is WFUMTNUTUXGOLI-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-17(18-8-12-1-2-12)14-7-16-15(3-5-21-16)19(10-14)9-13-4-6-22-11-13/h4,6,11-12,14-16H,1-3,5,7-10H2,(H,18,20)/t14-,15+,16+/m0/s1.
What are the key properties of (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 97380298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).