3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid

C14H14ClN3O2 — CID 107062384

IUPAC3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCCN(Cc1ccncc1)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C14H14ClN3O2/c1-2-18(9-10-3-6-16-7-4-10)13-12(15)11(14(19)20)5-8-17-13/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyHOWQIHMONZLIKS-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.85
Rot. Bonds5

About 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid

3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid (PubChem CID 107062384) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
PubChem CID107062384
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCCN(Cc1ccncc1)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C14H14ClN3O2/c1-2-18(9-10-3-6-16-7-4-10)13-12(15)11(14(19)20)5-8-17-13/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyHOWQIHMONZLIKS-UHFFFAOYSA-N
XLogP2.85
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-[ethyl(pyridin-4-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(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062243
3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 62701844
3-chloro-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxylic acid
CID 107062432
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
CID 62515879
3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701675
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-3-carbothioamide
CID 61449365
2-[ethyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753136
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid (CID 107062384) is 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid is CCN(Cc1ccncc1)c1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is HOWQIHMONZLIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-18(9-10-3-6-16-7-4-10)13-12(15)11(14(19)20)5-8-17-13/h3-8H,2,9H2,1H3,(H,19,20).
What are the key properties of 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid?
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 291.74 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).