(1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate

C14H17FN2O3 — CID 162687254

IUPAC(1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate
SMILESCC1(OC(=O)Nc2cnc(F)cc2C2CCCO2)CC1
InChIInChI=1S/C14H17FN2O3/c1-14(4-5-14)20-13(18)17-10-8-16-12(15)7-9(10)11-3-2-6-19-11/h7-8,11H,2-6H2,1H3,(H,17,18)
InChIKeyAOHFKYKFXRSKSV-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.17
Rot. Bonds3

About (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate

(1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate (PubChem CID 162687254) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name(1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate
PubChem CID162687254
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate
SMILESCC1(OC(=O)Nc2cnc(F)cc2C2CCCO2)CC1
InChIInChI=1S/C14H17FN2O3/c1-14(4-5-14)20-13(18)17-10-8-16-12(15)7-9(10)11-3-2-6-19-11/h7-8,11H,2-6H2,1H3,(H,17,18)
InChIKeyAOHFKYKFXRSKSV-UHFFFAOYSA-N
XLogP3.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate?
The IUPAC name of (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate (CID 162687254) is (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate?
The canonical SMILES for (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate is CC1(OC(=O)Nc2cnc(F)cc2C2CCCO2)CC1.
What is the InChIKey of (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate?
The InChIKey is AOHFKYKFXRSKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(4-5-14)20-13(18)17-10-8-16-12(15)7-9(10)11-3-2-6-19-11/h7-8,11H,2-6H2,1H3,(H,17,18).
What are the key properties of (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate?
(1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate has a molecular weight of 280.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) N-[6-fluoro-4-(oxolan-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 162687254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).