tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate

C15H21FN2O3 — CID 170730393

IUPACtert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate
SMILESCC(Oc1cnc(F)cc1NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H21FN2O3/c1-9(10-5-6-10)20-12-8-17-13(16)7-11(12)18-14(19)21-15(2,3)4/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyRHFAOIPEQNUKJE-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate

tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate (PubChem CID 170730393) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate
PubChem CID170730393
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate
SMILESCC(Oc1cnc(F)cc1NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H21FN2O3/c1-9(10-5-6-10)20-12-8-17-13(16)7-11(12)18-14(19)21-15(2,3)4/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyRHFAOIPEQNUKJE-UHFFFAOYSA-N
XLogP3.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
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 N-[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamate
CID 118072382
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
CID 178125649
tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate
CID 68568376
tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
CID 170730479
tert-butyl N-(5-fluoro-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 156715468
tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
CID 130756012
tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate
CID 170731023
2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 170731225
tert-butyl N-[4-(difluoromethoxy)-2,5-difluorophenyl]carbamate
CID 177334338
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate
CID 155375435
tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate
CID 118957680

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate (CID 170730393) is tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate is CC(Oc1cnc(F)cc1NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate?
The InChIKey is RHFAOIPEQNUKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-9(10-5-6-10)20-12-8-17-13(16)7-11(12)18-14(19)21-15(2,3)4/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate?
tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate has a molecular weight of 296.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate is sourced from PubChem (CID 170730393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).