3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid

C14H20N2O2 — CID 114288751

IUPAC3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCCC1CCC(Nc2cnccc2C(=O)O)C1C
InChIInChI=1S/C14H20N2O2/c1-3-10-4-5-12(9(10)2)16-13-8-15-7-6-11(13)14(17)18/h6-10,12,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyNBFWYZLOUBHDPR-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.02
Rot. Bonds4

About 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid

3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid (PubChem CID 114288751) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
PubChem CID114288751
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCCC1CCC(Nc2cnccc2C(=O)O)C1C
InChIInChI=1S/C14H20N2O2/c1-3-10-4-5-12(9(10)2)16-13-8-15-7-6-11(13)14(17)18/h6-10,12,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyNBFWYZLOUBHDPR-UHFFFAOYSA-N
XLogP3.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114195184
3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114121663
6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid
CID 64923554
5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 64923372
5-amino-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114406820
5-amino-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-3-carboxylic acid
CID 81439688
3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062601
6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine
CID 64915443
4-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-2-carboxamide
CID 64914826
4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81244619
N-(3-ethyl-2-methylcyclopentyl)-2-methylquinolin-4-amine
CID 64923562
N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115645871

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid (CID 114288751) is 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid is CCC1CCC(Nc2cnccc2C(=O)O)C1C.
What is the InChIKey of 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The InChIKey is NBFWYZLOUBHDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-4-5-12(9(10)2)16-13-8-15-7-6-11(13)14(17)18/h6-10,12,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114288751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).