5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid

C12H18ClN3O3 — CID 114919583

IUPAC5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid
SMILESCOCCN(C)CCNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H18ClN3O3/c1-16(5-6-19-2)4-3-14-11-7-9(12(17)18)10(13)8-15-11/h7-8H,3-6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyGCAOLSPYKJSCPM-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.42
Rot. Bonds8

About 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid

5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid (PubChem CID 114919583) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid
PubChem CID114919583
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid
SMILESCOCCN(C)CCNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H18ClN3O3/c1-16(5-6-19-2)4-3-14-11-7-9(12(17)18)10(13)8-15-11/h7-8H,3-6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyGCAOLSPYKJSCPM-UHFFFAOYSA-N
XLogP1.42
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114919925
5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
CID 114112972
5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922793
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 114919065
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid (CID 114919583) is 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid is COCCN(C)CCNc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid?
The InChIKey is GCAOLSPYKJSCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-16(5-6-19-2)4-3-14-11-7-9(12(17)18)10(13)8-15-11/h7-8H,3-6H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid?
5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid has a molecular weight of 287.75 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).