tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide

C17H25ClFN3O3 — CID 174473479

IUPACtert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide
SMILESCC(C)(C)OC(N)=O.O=C(NC1CCCCC1)c1cc(F)cnc1Cl
InChIInChI=1S/C12H14ClFN2O.C5H11NO2/c13-11-10(6-8(14)7-15-11)12(17)16-9-4-2-1-3-5-9;1-5(2,3)8-4(6)7/h6-7,9H,1-5H2,(H,16,17);1-3H3,(H2,6,7)
InChIKeyZNLQEWXHICWFMW-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.82
Rot. Bonds2

About tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide

tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide (PubChem CID 174473479) has the molecular formula C17H25ClFN3O3 and a molecular weight of 373.86 g/mol. Its IUPAC name is tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Nametert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide
PubChem CID174473479
Molecular FormulaC17H25ClFN3O3
Molecular Weight373.86 g/mol
Exact Mass373.16
IUPAC Nametert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide
SMILESCC(C)(C)OC(N)=O.O=C(NC1CCCCC1)c1cc(F)cnc1Cl
InChIInChI=1S/C12H14ClFN2O.C5H11NO2/c13-11-10(6-8(14)7-15-11)12(17)16-9-4-2-1-3-5-9;1-5(2,3)8-4(6)7/h6-7,9H,1-5H2,(H,16,17);1-3H3,(H2,6,7)
InChIKeyZNLQEWXHICWFMW-UHFFFAOYSA-N
XLogP3.82
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (1R,5S)-3-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;methane
CID 158018602
tert-butyl N-[4-[[(2-chloro-5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]carbamate
CID 142991989
cis-(1R,3S)-3-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320904
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
1-(2-chloro-5-fluoro-3-pyridinyl)ethanone;methylcyclohexane
CID 142991897
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
(2-chloro-5-fluoropyridine-3-carbonyl) 2-(cyclopentylamino)-5-fluoropyridine-3-carboxylate
CID 87583158
5-chloro-N-cyclohexyl-2-(1,1-difluoroethyl)pyridine-3-carboxamide
CID 167055905
amino 2-chloro-5-fluoropyridine-3-carboxylate
CID 134381253
1-(2-chloro-5-fluoro-3-pyridinyl)ethanone;3-cycloheptylpropan-1-amine
CID 142991980
2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 103892511
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide?
The IUPAC name of tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide (CID 174473479) is tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide?
The canonical SMILES for tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide is CC(C)(C)OC(N)=O.O=C(NC1CCCCC1)c1cc(F)cnc1Cl.
What is the InChIKey of tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide?
The InChIKey is ZNLQEWXHICWFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O.C5H11NO2/c13-11-10(6-8(14)7-15-11)12(17)16-9-4-2-1-3-5-9;1-5(2,3)8-4(6)7/h6-7,9H,1-5H2,(H,16,17);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide?
tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 174473479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).