3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid

C15H17N3O3 — CID 107856230

IUPAC3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCOc1cccc(CCNc2nccc(C(=O)O)c2N)c1
InChIInChI=1S/C15H17N3O3/c1-21-11-4-2-3-10(9-11)5-7-17-14-13(16)12(15(19)20)6-8-18-14/h2-4,6,8-9H,5,7,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyZNXZRARBTCHZRO-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.03
Rot. Bonds6

About 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid

3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 107856230) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID107856230
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCOc1cccc(CCNc2nccc(C(=O)O)c2N)c1
InChIInChI=1S/C15H17N3O3/c1-21-11-4-2-3-10(9-11)5-7-17-14-13(16)12(15(19)20)6-8-18-14/h2-4,6,8-9H,5,7,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyZNXZRARBTCHZRO-UHFFFAOYSA-N
XLogP2.03
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
CID 103702655
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 107856311
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one
CID 103702647
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid
CID 114009306
N-[2-(3-methoxyphenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 107856315
[8-[2-(3-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
CID 67250729

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid (CID 107856230) is 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid is COc1cccc(CCNc2nccc(C(=O)O)c2N)c1.
What is the InChIKey of 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is ZNXZRARBTCHZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-11-4-2-3-10(9-11)5-7-17-14-13(16)12(15(19)20)6-8-18-14/h2-4,6,8-9H,5,7,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107856230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).