(2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide

C19H26F2N2O2 — CID 178021304

IUPAC(2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)C1CC(F)(F)CC[C@H]1C1CCCCCC1
InChIInChI=1S/C19H26F2N2O2/c20-19(21)10-9-15(13-5-3-1-2-4-6-13)16(11-19)18(25)23-14-7-8-17(24)22-12-14/h7-8,12-13,15-16H,1-6,9-11H2,(H,22,24)(H,23,25)/t15-,16?/m0/s1
InChIKeyLKYBAGRJPBBBNR-VYRBHSGPSA-N
MW352.43 g/mol
LogP4.34
Rot. Bonds3

About (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide

(2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide (PubChem CID 178021304) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
PubChem CID178021304
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name(2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)C1CC(F)(F)CC[C@H]1C1CCCCCC1
InChIInChI=1S/C19H26F2N2O2/c20-19(21)10-9-15(13-5-3-1-2-4-6-13)16(11-19)18(25)23-14-7-8-17(24)22-12-14/h7-8,12-13,15-16H,1-6,9-11H2,(H,22,24)(H,23,25)/t15-,16?/m0/s1
InChIKeyLKYBAGRJPBBBNR-VYRBHSGPSA-N
XLogP4.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide (CID 178021304) is (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc(=O)[nH]c1)C1CC(F)(F)CC[C@H]1C1CCCCCC1.
What is the InChIKey of (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is LKYBAGRJPBBBNR-VYRBHSGPSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c20-19(21)10-9-15(13-5-3-1-2-4-6-13)16(11-19)18(25)23-14-7-8-17(24)22-12-14/h7-8,12-13,15-16H,1-6,9-11H2,(H,22,24)(H,23,25)/t15-,16?/m0/s1.
What are the key properties of (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
(2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 178021304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).