[4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone

C20H16N2O5S — CID 141273181

IUPAC[4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1ccco1)N1CCOCC1(C(=O)c1cccnc1)C(=O)c1cccs1
InChIInChI=1S/C20H16N2O5S/c23-17(14-4-1-7-21-12-14)20(18(24)16-6-3-11-28-16)13-26-10-8-22(20)19(25)15-5-2-9-27-15/h1-7,9,11-12H,8,10,13H2
InChIKeyDDBNRPWYNJRCNG-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.71
Rot. Bonds5

About [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone

[4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone (PubChem CID 141273181) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone
PubChem CID141273181
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name[4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1ccco1)N1CCOCC1(C(=O)c1cccnc1)C(=O)c1cccs1
InChIInChI=1S/C20H16N2O5S/c23-17(14-4-1-7-21-12-14)20(18(24)16-6-3-11-28-16)13-26-10-8-22(20)19(25)15-5-2-9-27-15/h1-7,9,11-12H,8,10,13H2
InChIKeyDDBNRPWYNJRCNG-UHFFFAOYSA-N
XLogP2.71
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
2-(2-Furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033230
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 2917799
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210865
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
Ethyl 1-[[2-(2-furoylamino)-4,5-dimethylthien-3-yl](pyridin-3-yl)methyl]piperidine-4-carboxylate
CID 3245442
3-hydroxy-5-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 3502624
5-(3-butoxyphenyl)-3-hydroxy-1-(3-pyridinylmethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3545131

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone (CID 141273181) is [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone is O=C(c1ccco1)N1CCOCC1(C(=O)c1cccnc1)C(=O)c1cccs1.
What is the InChIKey of [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone?
The InChIKey is DDBNRPWYNJRCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c23-17(14-4-1-7-21-12-14)20(18(24)16-6-3-11-28-16)13-26-10-8-22(20)19(25)15-5-2-9-27-15/h1-7,9,11-12H,8,10,13H2.
What are the key properties of [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone?
[4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone has a molecular weight of 396.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 141273181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).