3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid

C15H21FN2O2 — CID 105382378

IUPAC3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
SMILESCC1CCCC(CCNc2nccc(C(=O)O)c2F)C1
InChIInChI=1S/C15H21FN2O2/c1-10-3-2-4-11(9-10)5-7-17-14-13(16)12(15(19)20)6-8-18-14/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyQIQNVXWFLPJEFX-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.55
Rot. Bonds5

About 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid

3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 105382378) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID105382378
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
SMILESCC1CCCC(CCNc2nccc(C(=O)O)c2F)C1
InChIInChI=1S/C15H21FN2O2/c1-10-3-2-4-11(9-10)5-7-17-14-13(16)12(15(19)20)6-8-18-14/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyQIQNVXWFLPJEFX-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105388388
2-bromo-3-fluoro-4-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 107540332
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
CID 83181984
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 114919693
1-methyl-N-[2-(3-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-4-amine
CID 103385635
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 83205945
2-(2-cyclopentylethylamino)pyridine-3-carboxylic acid
CID 60731921
3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 105382560
2-[2-(3-methylcyclohexyl)ethylamino]-3-nitropyridine-4-carbonitrile
CID 80712425
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid (CID 105382378) is 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid is CC1CCCC(CCNc2nccc(C(=O)O)c2F)C1.
What is the InChIKey of 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is QIQNVXWFLPJEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-3-2-4-11(9-10)5-7-17-14-13(16)12(15(19)20)6-8-18-14/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid?
3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 280.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).