[(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone

C19H27N3O3 — CID 97364621

IUPAC[(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CN2C[C@@H]3COC[C@H](C(=O)N4CCOCC4)[C@@H]3C2)n1
InChIInChI=1S/C19H27N3O3/c1-14-3-2-4-16(20-14)10-21-9-15-12-25-13-18(17(15)11-21)19(23)22-5-7-24-8-6-22/h2-4,15,17-18H,5-13H2,1H3/t15-,17-,18+/m1/s1
InChIKeyHPDVAEQAJXFGJX-NXHRZFHOSA-N
MW345.44 g/mol
LogP0.94
Rot. Bonds3

About [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone

[(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone (PubChem CID 97364621) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
PubChem CID97364621
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CN2C[C@@H]3COC[C@H](C(=O)N4CCOCC4)[C@@H]3C2)n1
InChIInChI=1S/C19H27N3O3/c1-14-3-2-4-16(20-14)10-21-9-15-12-25-13-18(17(15)11-21)19(23)22-5-7-24-8-6-22/h2-4,15,17-18H,5-13H2,1H3/t15-,17-,18+/m1/s1
InChIKeyHPDVAEQAJXFGJX-NXHRZFHOSA-N
XLogP0.94
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(3aR,7R,7aR)-2-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 171694521
[(5R,9R)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895994
[(3aR,7S,7aR)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(4-fluoropiperidin-1-yl)methanone
CID 97362646
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
[(2S,3aS,6aS)-1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 124793013
1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494997
1,1-dimethyl-3-[(1S,5R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 98778828
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772
(3aR,4S,7aR)-4-methoxy-2-[(6-methyl-2-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 97402931
[(4R,4aR,8aR)-6-[(6-methyl-2-pyridinyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367105
2-[(6-methyl-2-pyridinyl)methyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687291
2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 125023556

Frequently Asked Questions

What is the IUPAC name of [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone (CID 97364621) is [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone is Cc1cccc(CN2C[C@@H]3COC[C@H](C(=O)N4CCOCC4)[C@@H]3C2)n1.
What is the InChIKey of [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone?
The InChIKey is HPDVAEQAJXFGJX-NXHRZFHOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-3-2-4-16(20-14)10-21-9-15-12-25-13-18(17(15)11-21)19(23)22-5-7-24-8-6-22/h2-4,15,17-18H,5-13H2,1H3/t15-,17-,18+/m1/s1.
What are the key properties of [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone?
[(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone has a molecular weight of 345.44 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97364621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).