[(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone

C19H21N3O3 — CID 97459587

IUPAC[(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)cn1
InChIInChI=1S/C19H21N3O3/c1-13-4-5-15(8-21-13)19(23)22-9-18(16-11-24-12-17(16)22)25-10-14-3-2-6-20-7-14/h2-8,16-18H,9-12H2,1H3/t16-,17+,18-/m0/s1
InChIKeyPUUOMRCRLMCWEM-KSZLIROESA-N
MW339.39 g/mol
LogP1.84
Rot. Bonds4

About [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone

[(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 97459587) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID97459587
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)cn1
InChIInChI=1S/C19H21N3O3/c1-13-4-5-15(8-21-13)19(23)22-9-18(16-11-24-12-17(16)22)25-10-14-3-2-6-20-7-14/h2-8,16-18H,9-12H2,1H3/t16-,17+,18-/m0/s1
InChIKeyPUUOMRCRLMCWEM-KSZLIROESA-N
XLogP1.84
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

3-Pyridinecarboxylic acid, 2-((phenylmethyl)(3-pyridinylcarbonyl)amino)butyl ester
CID 3021380
3-Pyridinecarboxylic acid, 2-(ethyl(3-pyridinylcarbonyl)amino)ethyl ester
CID 3052984
3-Pyridinecarboxylic acid, 2-(1-(methylethyl)(3-pyridinylcarbonyl)amino)ethyl ester
CID 3052985
3-Pyridinecarboxylic acid, 2-(cyclohexyl(3-pyridinylcarbonyl)amino)ethyl ester
CID 3052986
3-Pyridinecarboxylic acid, 1-methyl-2-(methyl(3-pyridinylcarbonyl)amino)ethyl ester
CID 3052990
3-Pyridinecarboxylic acid, 1-methyl-2-((1-methylethyl)(3-pyridinylcarbonyl)amino)ethyl ester
CID 3052991
3-Pyridinecarboxylic acid, 2-methyl-2-((phenylmethyl)(3-pyridinylcarbonyl)amino)propyl ester
CID 13222039
[2-(Phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 46100230
[(3R,3aS,7aR)-3-(pyridin-3-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97366248
(3S,3aR,6aS)-3-(pyridin-2-ylmethoxy)-1-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97378639
phenyl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419561
[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone
CID 97421060

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 97459587) is [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)cn1.
What is the InChIKey of [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is PUUOMRCRLMCWEM-KSZLIROESA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-4-5-15(8-21-13)19(23)22-9-18(16-11-24-12-17(16)22)25-10-14-3-2-6-20-7-14/h2-8,16-18H,9-12H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone?
[(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 339.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 97459587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).