6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid

C12H12F2N2O3 — CID 114226167

IUPAC6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCC(F)(F)C2)nc1
InChIInChI=1S/C12H12F2N2O3/c13-12(14)4-3-7(5-12)10(17)16-9-2-1-8(6-15-9)11(18)19/h1-2,6-7H,3-5H2,(H,18,19)(H,15,16,17)
InChIKeyAURGDRHUUGMAKG-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.15
Rot. Bonds3

About 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid

6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 114226167) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.23 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
PubChem CID114226167
Molecular FormulaC12H12F2N2O3
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCC(F)(F)C2)nc1
InChIInChI=1S/C12H12F2N2O3/c13-12(14)4-3-7(5-12)10(17)16-9-2-1-8(6-15-9)11(18)19/h1-2,6-7H,3-5H2,(H,18,19)(H,15,16,17)
InChIKeyAURGDRHUUGMAKG-UHFFFAOYSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
6-(cyclopropylcarbamoylamino)pyridine-3-carboxylic acid
CID 62697960
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226135
N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107595812
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114098798
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226828
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118065427

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid (CID 114226167) is 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)C2CCC(F)(F)C2)nc1.
What is the InChIKey of 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is AURGDRHUUGMAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-12(14)4-3-7(5-12)10(17)16-9-2-1-8(6-15-9)11(18)19/h1-2,6-7H,3-5H2,(H,18,19)(H,15,16,17).
What are the key properties of 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid?
6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 270.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114226167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).