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

C26H19N3O6S — CID 141245692

IUPAC[4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)C1OCCN(C(=O)c2ccco2)C1(C(=O)c1ccncc1)C(=O)c1cccs1
InChIInChI=1S/C26H19N3O6S/c30-21(18-4-1-9-28-16-18)24-26(23(32)20-6-3-15-36-20,22(31)17-7-10-27-11-8-17)29(12-14-35-24)25(33)19-5-2-13-34-19/h1-11,13,15-16,24H,12,14H2
InChIKeyPQDATQCYVYVABM-UHFFFAOYSA-N
MW501.52 g/mol
LogP3.36
Rot. Bonds7

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

[4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone (PubChem CID 141245692) has the molecular formula C26H19N3O6S and a molecular weight of 501.52 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone
PubChem CID141245692
Molecular FormulaC26H19N3O6S
Molecular Weight501.52 g/mol
Exact Mass501.10
IUPAC Name[4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)C1OCCN(C(=O)c2ccco2)C1(C(=O)c1ccncc1)C(=O)c1cccs1
InChIInChI=1S/C26H19N3O6S/c30-21(18-4-1-9-28-16-18)24-26(23(32)20-6-3-15-36-20,22(31)17-7-10-27-11-8-17)29(12-14-35-24)25(33)19-5-2-13-34-19/h1-11,13,15-16,24H,12,14H2
InChIKeyPQDATQCYVYVABM-UHFFFAOYSA-N
XLogP3.36
TPSA119.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone with MolForge

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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
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
(pyridin-3-ylmethyl){[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]methyl}(3-thienylmethyl)amine
CID 46987560
N-(pyridin-3-ylmethyl)-N-(2-(thiophen-2-yl)ethyl)furan-2-carboxamide
CID 71781276
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 133956335
2-(Furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one;2,2,2-trifluoroacetic acid
CID 155866398
N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732035
N-(furan-2-ylmethyl)-6-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 31835212
N-{2-[(Morpholin-4-YL)(pyridin-3-YL)methyl]-1-benzofuran-3-YL}thiophene-2-carboxamide
CID 46270036
N-((2-(thiophen-2-yl)pyridin-4-yl)methyl)furan-2-carboxamide
CID 91630312
1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 126474572

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone (CID 141245692) is [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)C1OCCN(C(=O)c2ccco2)C1(C(=O)c1ccncc1)C(=O)c1cccs1.
What is the InChIKey of [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone?
The InChIKey is PQDATQCYVYVABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O6S/c30-21(18-4-1-9-28-16-18)24-26(23(32)20-6-3-15-36-20,22(31)17-7-10-27-11-8-17)29(12-14-35-24)25(33)19-5-2-13-34-19/h1-11,13,15-16,24H,12,14H2.
What are the key properties of [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone?
[4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone has a molecular weight of 501.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 141245692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).