5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid

C15H15ClN2O3 — CID 114919065

IUPAC5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCOc1ccc(CCNc2cc(C(=O)O)c(Cl)cn2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-4-2-10(3-5-11)6-7-17-14-8-12(15(19)20)13(16)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyRCWKNJUMJMYAQJ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.10
Rot. Bonds6

About 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid

5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 114919065) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID114919065
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCOc1ccc(CCNc2cc(C(=O)O)c(Cl)cn2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-4-2-10(3-5-11)6-7-17-14-8-12(15(19)20)13(16)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyRCWKNJUMJMYAQJ-UHFFFAOYSA-N
XLogP3.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015
N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351455
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid
CID 107853620
5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
CID 114919808
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 114921831

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid (CID 114919065) is 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid is COc1ccc(CCNc2cc(C(=O)O)c(Cl)cn2)cc1.
What is the InChIKey of 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is RCWKNJUMJMYAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-11-4-2-10(3-5-11)6-7-17-14-8-12(15(19)20)13(16)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).