5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid

C16H19NO5 — CID 82056227

IUPAC5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
SMILESCCCCCOc1cccn(Cc2ccc(C(=O)O)o2)c1=O
InChIInChI=1S/C16H19NO5/c1-2-3-4-10-21-13-6-5-9-17(15(13)18)11-12-7-8-14(22-12)16(19)20/h5-9H,2-4,10-11H2,1H3,(H,19,20)
InChIKeyZFUIFUFEZJNEHL-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.76
Rot. Bonds8

About 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid

5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid (PubChem CID 82056227) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
PubChem CID82056227
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
SMILESCCCCCOc1cccn(Cc2ccc(C(=O)O)o2)c1=O
InChIInChI=1S/C16H19NO5/c1-2-3-4-10-21-13-6-5-9-17(15(13)18)11-12-7-8-14(22-12)16(19)20/h5-9H,2-4,10-11H2,1H3,(H,19,20)
InChIKeyZFUIFUFEZJNEHL-UHFFFAOYSA-N
XLogP2.76
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239
1-[[4-(aminomethyl)phenyl]methyl]-3-heptoxypyridin-2-one
CID 82151500
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
3-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]benzonitrile
CID 82150610
ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate
CID 141168809
5-hexylfuran-2-carboxylic acid
CID 86015959
2-[[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 94745786
2-(3-hexoxy-2-oxo-1-pyridinyl)-3-methylbutanoic acid
CID 82151667

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid (CID 82056227) is 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid is CCCCCOc1cccn(Cc2ccc(C(=O)O)o2)c1=O.
What is the InChIKey of 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid?
The InChIKey is ZFUIFUFEZJNEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-2-3-4-10-21-13-6-5-9-17(15(13)18)11-12-7-8-14(22-12)16(19)20/h5-9H,2-4,10-11H2,1H3,(H,19,20).
What are the key properties of 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid?
5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 82056227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).