(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide

C14H18N2O3 — CID 154866666

IUPAC(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide
SMILESO=C(NOCc1cccnc1)[C@]12CCC[C@H]1OCC2
InChIInChI=1S/C14H18N2O3/c17-13(14-5-1-4-12(14)18-8-6-14)16-19-10-11-3-2-7-15-9-11/h2-3,7,9,12H,1,4-6,8,10H2,(H,16,17)/t12-,14+/m1/s1
InChIKeyFQNLFMHLWZEMSH-OCCSQVGLSA-N
MW262.31 g/mol
LogP1.59
Rot. Bonds4

About (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide

(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide (PubChem CID 154866666) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide
PubChem CID154866666
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide
SMILESO=C(NOCc1cccnc1)[C@]12CCC[C@H]1OCC2
InChIInChI=1S/C14H18N2O3/c17-13(14-5-1-4-12(14)18-8-6-14)16-19-10-11-3-2-7-15-9-11/h2-3,7,9,12H,1,4-6,8,10H2,(H,16,17)/t12-,14+/m1/s1
InChIKeyFQNLFMHLWZEMSH-OCCSQVGLSA-N
XLogP1.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362803
(3aS,6aR)-N-(1-benzyltriazol-4-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide
CID 139021622
1-[(4aR,8aR)-4a-(pyridin-3-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-cyclopropylethanone
CID 97364069
N,N-dimethyl-4a-(pyridin-3-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 131643189
4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide
CID 91661392
1-[(4aS,8aR)-4a-(pyridin-3-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-methoxyethanone
CID 97387531
(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 51725557
N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 154863799
6-cyclobutyl-4a-(pyridin-3-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131639418
N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide
CID 97482396
2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide
CID 166224612
1-[(3aS,7aR)-3a-(pyridin-3-ylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(dimethylamino)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155830244

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide?
The IUPAC name of (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide (CID 154866666) is (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide.
What is the SMILES notation for (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide?
The canonical SMILES for (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide is O=C(NOCc1cccnc1)[C@]12CCC[C@H]1OCC2.
What is the InChIKey of (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide?
The InChIKey is FQNLFMHLWZEMSH-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(14-5-1-4-12(14)18-8-6-14)16-19-10-11-3-2-7-15-9-11/h2-3,7,9,12H,1,4-6,8,10H2,(H,16,17)/t12-,14+/m1/s1.
What are the key properties of (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide?
(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide is sourced from PubChem (CID 154866666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).