2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid

C14H19FN2O2 — CID 114034377

IUPAC2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid
SMILESCN(c1ncc(F)cc1C(=O)O)C1CCCCCC1
InChIInChI=1S/C14H19FN2O2/c1-17(11-6-4-2-3-5-7-11)13-12(14(18)19)8-10(15)9-16-13/h8-9,11H,2-7H2,1H3,(H,18,19)
InChIKeyDCWLFNROXNILCX-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.08
Rot. Bonds3

About 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid

2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid (PubChem CID 114034377) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid
PubChem CID114034377
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid
SMILESCN(c1ncc(F)cc1C(=O)O)C1CCCCCC1
InChIInChI=1S/C14H19FN2O2/c1-17(11-6-4-2-3-5-7-11)13-12(14(18)19)8-10(15)9-16-13/h8-9,11H,2-7H2,1H3,(H,18,19)
InChIKeyDCWLFNROXNILCX-UHFFFAOYSA-N
XLogP3.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
CID 106766543
2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid
CID 114034132
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
2-[2-cyanoethyl(cyclopropyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034417
5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 114034507
3-bromo-N-cyclohexyl-N,5-dimethylpyridin-2-amine
CID 105367626
1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
CID 43176961
5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114034416
3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid
CID 70659529
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid (CID 114034377) is 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid is CN(c1ncc(F)cc1C(=O)O)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid?
The InChIKey is DCWLFNROXNILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(11-6-4-2-3-5-7-11)13-12(14(18)19)8-10(15)9-16-13/h8-9,11H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid?
2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 114034377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).