N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide

C18H19FN2O3 — CID 139001465

IUPACN-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
SMILESCC(COc1ccccc1F)NC(=O)c1cc2c(cn1)OCCC2
InChIInChI=1S/C18H19FN2O3/c1-12(11-24-16-7-3-2-6-14(16)19)21-18(22)15-9-13-5-4-8-23-17(13)10-20-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,21,22)
InChIKeyFSRTXGNYYFDDLH-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.74
Rot. Bonds5

About N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide

N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide (PubChem CID 139001465) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
PubChem CID139001465
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
SMILESCC(COc1ccccc1F)NC(=O)c1cc2c(cn1)OCCC2
InChIInChI=1S/C18H19FN2O3/c1-12(11-24-16-7-3-2-6-14(16)19)21-18(22)15-9-13-5-4-8-23-17(13)10-20-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,21,22)
InChIKeyFSRTXGNYYFDDLH-UHFFFAOYSA-N
XLogP2.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide (CID 139001465) is N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide is CC(COc1ccccc1F)NC(=O)c1cc2c(cn1)OCCC2.
What is the InChIKey of N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The InChIKey is FSRTXGNYYFDDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(11-24-16-7-3-2-6-14(16)19)21-18(22)15-9-13-5-4-8-23-17(13)10-20-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,21,22).
What are the key properties of N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 139001465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).