tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate

C16H22F2N2O3 — CID 171835902

IUPACtert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(=O)n(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H22F2N2O3/c1-15(2,3)23-14(22)19-11-4-5-13(21)20(10-11)12-6-8-16(17,18)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H,19,22)
InChIKeyUZCPRDIMOMJCOS-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate (PubChem CID 171835902) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate
PubChem CID171835902
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Nametert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(=O)n(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H22F2N2O3/c1-15(2,3)23-14(22)19-11-4-5-13(21)20(10-11)12-6-8-16(17,18)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H,19,22)
InChIKeyUZCPRDIMOMJCOS-UHFFFAOYSA-N
XLogP3.95
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate
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(2R)-3-[4-[[(2S)-2-(4,4-difluorocyclohexyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-(4-propan-2-ylphenyl)carbamate
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tert-butyl N-[4-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]phenyl]carbamate
CID 90666579
tert-butyl N-[4-[4-[4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrido[3,4-d]pyridazin-1-yl]phenyl]carbamate
CID 70369178
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
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tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate (CID 171835902) is tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(=O)n(C2CCC(F)(F)CC2)c1.
What is the InChIKey of tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate?
The InChIKey is UZCPRDIMOMJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-15(2,3)23-14(22)19-11-4-5-13(21)20(10-11)12-6-8-16(17,18)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate has a molecular weight of 328.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 171835902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).