tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C18H24F2N2O4 — CID 178118318

IUPACtert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(F)nc(C2(F)CC2)c1
InChIInChI=1S/C18H24F2N2O4/c1-16(2,3)25-14(23)22(15(24)26-17(4,5)6)11-9-12(18(20)7-8-18)21-13(19)10-11/h9-10H,7-8H2,1-6H3
InChIKeySPIUHYFMWIQVHH-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.86
Rot. Bonds2

About tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 178118318) has the molecular formula C18H24F2N2O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID178118318
Molecular FormulaC18H24F2N2O4
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC Nametert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(F)nc(C2(F)CC2)c1
InChIInChI=1S/C18H24F2N2O4/c1-16(2,3)25-14(23)22(15(24)26-17(4,5)6)11-9-12(18(20)7-8-18)21-13(19)10-11/h9-10H,7-8H2,1-6H3
InChIKeySPIUHYFMWIQVHH-UHFFFAOYSA-N
XLogP4.86
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58402559
tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-thiazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59250441
tert-butyl N-[4-(dimethylamino)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134129739
tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
CID 101072166
tert-butyl N-[6-bromo-5-(trifluoromethyl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 168966626
tert-butyl N-(4-fluoro-5-iodo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 163238627
tert-butyl N-(2-amino-3,5-difluorophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 122618961
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate
CID 90144131
tert-butyl N-methyl-N-(2,3,4,5,6-pentafluorophenyl)carbamate
CID 172558948
sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
CID 23717609
tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 91096614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 178118318) is tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(F)nc(C2(F)CC2)c1.
What is the InChIKey of tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is SPIUHYFMWIQVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O4/c1-16(2,3)25-14(23)22(15(24)26-17(4,5)6)11-9-12(18(20)7-8-18)21-13(19)10-11/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 370.40 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 178118318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).