6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid

C16H18N2O4 — CID 122048336

IUPAC6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
SMILESCOc1ccc(OC(C)CNc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C16H18N2O4/c1-11(22-13-8-6-12(21-2)7-9-13)10-17-15-5-3-4-14(18-15)16(19)20/h3-9,11H,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyDKIFYJSGOZVPAT-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.67
Rot. Bonds7

About 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid

6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid (PubChem CID 122048336) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
PubChem CID122048336
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
SMILESCOc1ccc(OC(C)CNc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C16H18N2O4/c1-11(22-13-8-6-12(21-2)7-9-13)10-17-15-5-3-4-14(18-15)16(19)20/h3-9,11H,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyDKIFYJSGOZVPAT-UHFFFAOYSA-N
XLogP2.67
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
CID 122053851
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
CID 122053549
6-methyl-N-[2-(4-methylphenoxy)propyl]pyridin-2-amine
CID 133483616
6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 122057914
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048078
6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
CID 122049018
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid (CID 122048336) is 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid is COc1ccc(OC(C)CNc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid?
The InChIKey is DKIFYJSGOZVPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(22-13-8-6-12(21-2)7-9-13)10-17-15-5-3-4-14(18-15)16(19)20/h3-9,11H,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid?
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).