5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid

C14H19N3O4 — CID 63833702

IUPAC5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
SMILESO=C(NCCOC1CCCC1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H19N3O4/c18-13(19)10-7-11(9-15-8-10)17-14(20)16-5-6-21-12-3-1-2-4-12/h7-9,12H,1-6H2,(H,18,19)(H2,16,17,20)
InChIKeyHOJARVAWCMSXPO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.86
Rot. Bonds6

About 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid

5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid (PubChem CID 63833702) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
PubChem CID63833702
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
SMILESO=C(NCCOC1CCCC1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H19N3O4/c18-13(19)10-7-11(9-15-8-10)17-14(20)16-5-6-21-12-3-1-2-4-12/h7-9,12H,1-6H2,(H,18,19)(H2,16,17,20)
InChIKeyHOJARVAWCMSXPO-UHFFFAOYSA-N
XLogP1.86
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485
5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
CID 63154190
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid
CID 80594022
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
3-bromo-5-(2-cyclohexyloxyethylamino)benzoic acid
CID 102823009
4-(2-cyclohexyloxyethylamino)benzoic acid
CID 63827610
1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 55697566
1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
CID 63869416

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid (CID 63833702) is 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid is O=C(NCCOC1CCCC1)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid?
The InChIKey is HOJARVAWCMSXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-13(19)10-7-11(9-15-8-10)17-14(20)16-5-6-21-12-3-1-2-4-12/h7-9,12H,1-6H2,(H,18,19)(H2,16,17,20).
What are the key properties of 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid?
5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63833702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).