(3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

C17H25FN2O3 — CID 131684699

IUPAC(3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1CN(C(=O)C2(F)CC2)C[C@H]2OCC[C@H]21
InChIInChI=1S/C17H25FN2O3/c18-17(6-7-17)16(22)20-9-13(12-5-8-23-14(12)10-20)15(21)19-11-3-1-2-4-11/h11-14H,1-10H2,(H,19,21)/t12-,13+,14+/m0/s1
InChIKeyJFRLQNBSLHFMML-BFHYXJOUSA-N
MW324.40 g/mol
LogP1.41
Rot. Bonds3

About (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

(3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (PubChem CID 131684699) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
PubChem CID131684699
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name(3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1CN(C(=O)C2(F)CC2)C[C@H]2OCC[C@H]21
InChIInChI=1S/C17H25FN2O3/c18-17(6-7-17)16(22)20-9-13(12-5-8-23-14(12)10-20)15(21)19-11-3-1-2-4-11/h11-14H,1-10H2,(H,19,21)/t12-,13+,14+/m0/s1
InChIKeyJFRLQNBSLHFMML-BFHYXJOUSA-N
XLogP1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide with MolForge

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Related Compounds

[(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 131684954
(3aS,4R,7aS)-N-cyclopentyl-6-[(3-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155876233
(3aR,4S,7aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 124797865
(3aS,4R,7aS)-N-cyclobutyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97365019
(3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97365029
(3aS,4R,7aS)-N-cyclobutyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155824012
[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone
CID 131684765
N-cyclobutyl-3-(1-methylcyclohex-3-ene-1-carbonyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155870524
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
(4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367059
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (CID 131684699) is (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is O=C(NC1CCCC1)[C@@H]1CN(C(=O)C2(F)CC2)C[C@H]2OCC[C@H]21.
What is the InChIKey of (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The InChIKey is JFRLQNBSLHFMML-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H25FN2O3/c18-17(6-7-17)16(22)20-9-13(12-5-8-23-14(12)10-20)15(21)19-11-3-1-2-4-11/h11-14H,1-10H2,(H,19,21)/t12-,13+,14+/m0/s1.
What are the key properties of (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
(3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 131684699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).