3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid

C15H15ClN2O3 — CID 71765674

IUPAC3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCCCOc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O3/c16-11-3-1-4-12(9-11)21-8-2-6-18-14-10-17-7-5-13(14)15(19)20/h1,3-5,7,9-10,18H,2,6,8H2,(H,19,20)
InChIKeyUKWJZFIYGYKVTG-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.31
Rot. Bonds7

About 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid

3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid (PubChem CID 71765674) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid
PubChem CID71765674
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCCCOc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O3/c16-11-3-1-4-12(9-11)21-8-2-6-18-14-10-17-7-5-13(14)15(19)20/h1,3-5,7,9-10,18H,2,6,8H2,(H,19,20)
InChIKeyUKWJZFIYGYKVTG-UHFFFAOYSA-N
XLogP3.31
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 114136276
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide
CID 133469039
2-[4-(3,5-dichlorophenoxy)butylamino]-3-methylbenzoic acid
CID 18803442
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
CID 131885829
CID 131885829
5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82088303
2-[2-(4-chloro-2-fluoroanilino)ethoxy]benzoic acid
CID 103247399

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid (CID 71765674) is 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCCCOc1cccc(Cl)c1.
What is the InChIKey of 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid?
The InChIKey is UKWJZFIYGYKVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-3-1-4-12(9-11)21-8-2-6-18-14-10-17-7-5-13(14)15(19)20/h1,3-5,7,9-10,18H,2,6,8H2,(H,19,20).
What are the key properties of 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid?
3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 71765674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).