5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid

C13H17ClN2O3 — CID 114919337

IUPAC5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCCN(CC1CCCO1)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H17ClN2O3/c1-2-16(8-9-4-3-5-19-9)12-6-10(13(17)18)11(14)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyQSMJCVATRPJDMM-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.44
Rot. Bonds5

About 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid

5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid (PubChem CID 114919337) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
PubChem CID114919337
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCCN(CC1CCCO1)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H17ClN2O3/c1-2-16(8-9-4-3-5-19-9)12-6-10(13(17)18)11(14)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyQSMJCVATRPJDMM-UHFFFAOYSA-N
XLogP2.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]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

3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457647
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909
4-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]benzoic acid
CID 61434621
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
4-[ethyl(oxolan-2-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052982
5-chloro-2-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114922760
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 114918226
N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133309603
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid (CID 114919337) is 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid is CCN(CC1CCCO1)c1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is QSMJCVATRPJDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-16(8-9-4-3-5-19-9)12-6-10(13(17)18)11(14)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).