6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid

C16H18N2O3 — CID 122053549

IUPAC6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
SMILESCOc1cccc(CCCNc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H18N2O3/c1-21-13-7-2-5-12(11-13)6-4-10-17-15-9-3-8-14(18-15)16(19)20/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyMICPVSKVGQSSBU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.83
Rot. Bonds7

About 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid

6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid (PubChem CID 122053549) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
PubChem CID122053549
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
SMILESCOc1cccc(CCCNc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H18N2O3/c1-21-13-7-2-5-12(11-13)6-4-10-17-15-9-3-8-14(18-15)16(19)20/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyMICPVSKVGQSSBU-UHFFFAOYSA-N
XLogP2.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.83
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

5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid
CID 122047981
6-N-[2-(3-methoxyphenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 107855522
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid (CID 122053549) is 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid is COc1cccc(CCCNc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid?
The InChIKey is MICPVSKVGQSSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-13-7-2-5-12(11-13)6-4-10-17-15-9-3-8-14(18-15)16(19)20/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid?
6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).