2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid

C15H20N2O5 — CID 122055811

IUPAC2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NCCCOC2CCOCC2)c1
InChIInChI=1S/C15H20N2O5/c18-14(13-10-11(15(19)20)2-6-16-13)17-5-1-7-22-12-3-8-21-9-4-12/h2,6,10,12H,1,3-5,7-9H2,(H,17,18)(H,19,20)
InChIKeySFTKYXHGVJBFJH-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.10
Rot. Bonds7

About 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid

2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055811) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid
PubChem CID122055811
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NCCCOC2CCOCC2)c1
InChIInChI=1S/C15H20N2O5/c18-14(13-10-11(15(19)20)2-6-16-13)17-5-1-7-22-12-3-8-21-9-4-12/h2,6,10,12H,1,3-5,7-9H2,(H,17,18)(H,19,20)
InChIKeySFTKYXHGVJBFJH-UHFFFAOYSA-N
XLogP1.10
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
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-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082639
5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120689125
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-[3-(oxan-4-yloxy)propylamino]pyrimidine-4-carboxylic acid
CID 166331121
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109082488
2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
3-[3-(oxan-4-yloxy)propoxy]benzoic acid
CID 63073125
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109078417
2-(3-ethylsulfanylpropylcarbamoyl)pyridine-4-carboxylic acid
CID 122056379
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid (CID 122055811) is 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)NCCCOC2CCOCC2)c1.
What is the InChIKey of 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid?
The InChIKey is SFTKYXHGVJBFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c18-14(13-10-11(15(19)20)2-6-16-13)17-5-1-7-22-12-3-8-21-9-4-12/h2,6,10,12H,1,3-5,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid?
2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).