3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate

C19H18N2O4 — CID 78839801

IUPAC3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
SMILESO=C(OCCCc1cccnc1)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C19H18N2O4/c22-18-7-1-2-11-21(18)14-16-8-9-17(25-16)19(23)24-12-4-6-15-5-3-10-20-13-15/h1-3,5,7-11,13H,4,6,12,14H2
InChIKeyPCHQCBXKRYODPB-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.67
Rot. Bonds7

About 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate

3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate (PubChem CID 78839801) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
PubChem CID78839801
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
SMILESO=C(OCCCc1cccnc1)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C19H18N2O4/c22-18-7-1-2-11-21(18)14-16-8-9-17(25-16)19(23)24-12-4-6-15-5-3-10-20-13-15/h1-3,5,7-11,13H,4,6,12,14H2
InChIKeyPCHQCBXKRYODPB-UHFFFAOYSA-N
XLogP2.67
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-pyridinyl)methyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 34278794
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
5-[(2-oxo-1-pyridinyl)methyl]-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 134024480
3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate
CID 60554697
N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31344363
(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 134024410
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528
N-(6-methoxy-3-pyridinyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 33281766

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate?
The IUPAC name of 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate (CID 78839801) is 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate.
What is the SMILES notation for 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate?
The canonical SMILES for 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate is O=C(OCCCc1cccnc1)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate?
The InChIKey is PCHQCBXKRYODPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18-7-1-2-11-21(18)14-16-8-9-17(25-16)19(23)24-12-4-6-15-5-3-10-20-13-15/h1-3,5,7-11,13H,4,6,12,14H2.
What are the key properties of 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate?
3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate is sourced from PubChem (CID 78839801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).