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

C20H28F2N2O2 — CID 178021704

IUPAC2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
SMILESCc1[nH]c(=O)ccc1NC(=O)C1CC(F)(F)CCC1C1CCCCCC1
InChIInChI=1S/C20H28F2N2O2/c1-13-17(8-9-18(25)23-13)24-19(26)16-12-20(21,22)11-10-15(16)14-6-4-2-3-5-7-14/h8-9,14-16H,2-7,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyKFNQLIAUPZQTRI-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.64
Rot. Bonds3

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

2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide (PubChem CID 178021704) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
PubChem CID178021704
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
SMILESCc1[nH]c(=O)ccc1NC(=O)C1CC(F)(F)CCC1C1CCCCCC1
InChIInChI=1S/C20H28F2N2O2/c1-13-17(8-9-18(25)23-13)24-19(26)16-12-20(21,22)11-10-15(16)14-6-4-2-3-5-7-14/h8-9,14-16H,2-7,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyKFNQLIAUPZQTRI-UHFFFAOYSA-N
XLogP4.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
CID 177192498
2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide
CID 178021638
CID 178021525
CID 178021525
methyl 4-[[2-(4,4-difluorocyclohexyl)-5,5-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxylate
CID 178021079
(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 130409697
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-(oxan-4-yl)cyclohexane-1-carboxamide
CID 178021502
(5S,6R)-N-(3-acetyl-4-pyridinyl)-5-(4,4-difluorocyclohexyl)-2,2-difluorospiro[2.4]heptane-6-carboxamide
CID 178021690
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-2-(4,4-difluoro-3-methylcyclohexyl)-5,5-difluorocyclohexane-1-carboxamide
CID 178021144
N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
CID 171576977
methyl 4-[[(2S,3R)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-3-fluorobenzoate
CID 118100849
N-(4-fluoro-2-methylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890355
N-[2-[(1-tert-butylcyclohexanecarbonyl)amino]-3-(cyclooctanecarbonylamino)phenyl]cyclooctanecarboxamide
CID 130404817

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide (CID 178021704) is 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide is Cc1[nH]c(=O)ccc1NC(=O)C1CC(F)(F)CCC1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is KFNQLIAUPZQTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-13-17(8-9-18(25)23-13)24-19(26)16-12-20(21,22)11-10-15(16)14-6-4-2-3-5-7-14/h8-9,14-16H,2-7,10-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 178021704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).