3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid

C13H18ClN3O2 — CID 61404817

IUPAC3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid
SMILESCCN(c1ccc(Cl)c(C(=O)O)n1)C1CCNCC1
InChIInChI=1S/C13H18ClN3O2/c1-2-17(9-5-7-15-8-6-9)11-4-3-10(14)12(16-11)13(18)19/h3-4,9,15H,2,5-8H2,1H3,(H,18,19)
InChIKeyBWEJEUZZTCPTGD-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.01
Rot. Bonds4

About 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid

3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid (PubChem CID 61404817) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid
PubChem CID61404817
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid
SMILESCCN(c1ccc(Cl)c(C(=O)O)n1)C1CCNCC1
InChIInChI=1S/C13H18ClN3O2/c1-2-17(9-5-7-15-8-6-9)11-4-3-10(14)12(16-11)13(18)19/h3-4,9,15H,2,5-8H2,1H3,(H,18,19)
InChIKeyBWEJEUZZTCPTGD-UHFFFAOYSA-N
XLogP2.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 60980382
3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid
CID 63958296
3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 79470761
6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403758
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006
2-[ethyl(piperidin-4-yl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690843
6-[cyclopentyl(ethyl)amino]pyridazine-3-carboxylic acid
CID 60792260
6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid
CID 64584230
3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418695
5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid
CID 62000578
3-[ethyl(piperidin-4-yl)amino]-2-nitrobenzoic acid
CID 115542232
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid (CID 61404817) is 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid is CCN(c1ccc(Cl)c(C(=O)O)n1)C1CCNCC1.
What is the InChIKey of 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is BWEJEUZZTCPTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-17(9-5-7-15-8-6-9)11-4-3-10(14)12(16-11)13(18)19/h3-4,9,15H,2,5-8H2,1H3,(H,18,19).
What are the key properties of 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 283.76 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 61404817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).