(1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide

C11H12F2N2O — CID 164630399

IUPAC(1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C11H12F2N2O/c12-11(13)4-3-8(6-11)10(16)15-9-2-1-5-14-7-9/h1-2,5,7-8H,3-4,6H2,(H,15,16)/t8-/m0/s1
InChIKeySUBLWFQXOMFTFM-QMMMGPOBSA-N
MW226.23 g/mol
LogP2.46
Rot. Bonds2

About (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide

(1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide (PubChem CID 164630399) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide
PubChem CID164630399
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name(1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C11H12F2N2O/c12-11(13)4-3-8(6-11)10(16)15-9-2-1-5-14-7-9/h1-2,5,7-8H,3-4,6H2,(H,15,16)/t8-/m0/s1
InChIKeySUBLWFQXOMFTFM-QMMMGPOBSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide?
The IUPAC name of (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide (CID 164630399) is (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide?
The canonical SMILES for (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide is O=C(Nc1cccnc1)[C@H]1CCC(F)(F)C1.
What is the InChIKey of (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide?
The InChIKey is SUBLWFQXOMFTFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-11(13)4-3-8(6-11)10(16)15-9-2-1-5-14-7-9/h1-2,5,7-8H,3-4,6H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide?
(1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 164630399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).