2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone

C19H25N3O4 — CID 97379957

IUPAC2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@@H]1COC[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)N1CCOCC1
InChIInChI=1S/C19H25N3O4/c23-18(21-4-6-25-7-5-21)8-15-12-26-13-16-10-22(11-17(15)16)19(24)14-2-1-3-20-9-14/h1-3,9,15-17H,4-8,10-13H2/t15-,16-,17+/m1/s1
InChIKeyXNBCGHLJLXDWTC-ZACQAIPSSA-N
MW359.43 g/mol
LogP0.67
Rot. Bonds3

About 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone

2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone (PubChem CID 97379957) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
PubChem CID97379957
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@@H]1COC[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)N1CCOCC1
InChIInChI=1S/C19H25N3O4/c23-18(21-4-6-25-7-5-21)8-15-12-26-13-16-10-22(11-17(15)16)19(24)14-2-1-3-20-9-14/h1-3,9,15-17H,4-8,10-13H2/t15-,16-,17+/m1/s1
InChIKeyXNBCGHLJLXDWTC-ZACQAIPSSA-N
XLogP0.67
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
CID 97379953
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
CID 24733831
1-morpholin-4-yl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131642800
pyridin-3-yl-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 95848103
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone (CID 97379957) is 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone is O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)N1CCOCC1.
What is the InChIKey of 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone?
The InChIKey is XNBCGHLJLXDWTC-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-18(21-4-6-25-7-5-21)8-15-12-26-13-16-10-22(11-17(15)16)19(24)14-2-1-3-20-9-14/h1-3,9,15-17H,4-8,10-13H2/t15-,16-,17+/m1/s1.
What are the key properties of 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone?
2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone has a molecular weight of 359.43 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97379957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).