[4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate

C19H27F3N4O4 — CID 90881939

IUPAC[4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCC(Nc2nc(OCC(F)F)c(C(N)=O)cc2F)CC1
InChIInChI=1S/C19H27F3N4O4/c1-19(2,3)26-18(28)30-11-6-4-10(5-7-11)24-16-13(20)8-12(15(23)27)17(25-16)29-9-14(21)22/h8,10-11,14H,4-7,9H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)
InChIKeyCEGMIWUQMLADEW-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.21
Rot. Bonds7

About [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate

[4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate (PubChem CID 90881939) has the molecular formula C19H27F3N4O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate
PubChem CID90881939
Molecular FormulaC19H27F3N4O4
Molecular Weight432.44 g/mol
Exact Mass432.20
IUPAC Name[4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCC(Nc2nc(OCC(F)F)c(C(N)=O)cc2F)CC1
InChIInChI=1S/C19H27F3N4O4/c1-19(2,3)26-18(28)30-11-6-4-10(5-7-11)24-16-13(20)8-12(15(23)27)17(25-16)29-9-14(21)22/h8,10-11,14H,4-7,9H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)
InChIKeyCEGMIWUQMLADEW-UHFFFAOYSA-N
XLogP3.21
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate
CID 123685287
tert-butyl-[4-[[5-cyano-3-fluoro-6-(2-methylpropoxy)-2-pyridinyl]amino]cyclohexyl]carbamic acid
CID 67217365
[1-[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174652149
tert-butyl N-[(1S)-2-[(5-carbamoyl-6-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate
CID 163456540
2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide
CID 142196118
[4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
CID 67217967
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
2-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]cyclohexyl]-3,4,5-trifluorobenzamide
CID 141129528
[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate
CID 175281282
2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide
CID 75509414
4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237178

Frequently Asked Questions

What is the IUPAC name of [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate?
The IUPAC name of [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate (CID 90881939) is [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate?
The canonical SMILES for [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCC(Nc2nc(OCC(F)F)c(C(N)=O)cc2F)CC1.
What is the InChIKey of [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate?
The InChIKey is CEGMIWUQMLADEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O4/c1-19(2,3)26-18(28)30-11-6-4-10(5-7-11)24-16-13(20)8-12(15(23)27)17(25-16)29-9-14(21)22/h8,10-11,14H,4-7,9H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28).
What are the key properties of [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate?
[4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate has a molecular weight of 432.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 90881939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).