2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide

C13H14FN3O2 — CID 141444569

IUPAC2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(CN2CC[C@H](F)C2)oc2cccnc12
InChIInChI=1S/C13H14FN3O2/c14-8-3-5-17(6-8)7-10-11(13(15)18)12-9(19-10)2-1-4-16-12/h1-2,4,8H,3,5-7H2,(H2,15,18)/t8-/m0/s1
InChIKeyDATCSKBGMSRFQK-QMMMGPOBSA-N
MW263.27 g/mol
LogP1.47
Rot. Bonds3

About 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide

2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide (PubChem CID 141444569) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide
PubChem CID141444569
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(CN2CC[C@H](F)C2)oc2cccnc12
InChIInChI=1S/C13H14FN3O2/c14-8-3-5-17(6-8)7-10-11(13(15)18)12-9(19-10)2-1-4-16-12/h1-2,4,8H,3,5-7H2,(H2,15,18)/t8-/m0/s1
InChIKeyDATCSKBGMSRFQK-QMMMGPOBSA-N
XLogP1.47
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide (CID 141444569) is 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(CN2CC[C@H](F)C2)oc2cccnc12.
What is the InChIKey of 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide?
The InChIKey is DATCSKBGMSRFQK-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-8-3-5-17(6-8)7-10-11(13(15)18)12-9(19-10)2-1-4-16-12/h1-2,4,8H,3,5-7H2,(H2,15,18)/t8-/m0/s1.
What are the key properties of 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide?
2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 141444569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).