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

C13H16F2N2O2 — CID 177192498

IUPAC3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
SMILESCc1[nH]c(=O)ccc1NC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H16F2N2O2/c1-8-10(4-5-11(18)16-8)17-12(19)9-3-2-6-13(14,15)7-9/h4-5,9H,2-3,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyGBLLGZGMBPEROO-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.45
Rot. Bonds2

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

3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide (PubChem CID 177192498) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
PubChem CID177192498
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
SMILESCc1[nH]c(=O)ccc1NC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H16F2N2O2/c1-8-10(4-5-11(18)16-8)17-12(19)9-3-2-6-13(14,15)7-9/h4-5,9H,2-3,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyGBLLGZGMBPEROO-UHFFFAOYSA-N
XLogP2.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
CID 178021704
N-(2-chloro-5-iodophenyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114258882
3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide
CID 132971349
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226828
4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
CID 177192399
(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide
CID 177192865
N-cyano-3,3-difluorocyclohexane-1-carboxamide
CID 126974588
N-ethoxy-3,3-difluorocyclohexane-1-carboxamide
CID 130487784
3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide
CID 114226447
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide (CID 177192498) is 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide is Cc1[nH]c(=O)ccc1NC(=O)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is GBLLGZGMBPEROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8-10(4-5-11(18)16-8)17-12(19)9-3-2-6-13(14,15)7-9/h4-5,9H,2-3,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 177192498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).