2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid

C14H16N2O4 — CID 103243905

IUPAC2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C)Oc1ncccc1NCc1occc1C(=O)O
InChIInChI=1S/C14H16N2O4/c1-9(2)20-13-11(4-3-6-15-13)16-8-12-10(14(17)18)5-7-19-12/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyRNNHAHGFYUUTSR-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.77
Rot. Bonds6

About 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid

2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 103243905) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
PubChem CID103243905
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C)Oc1ncccc1NCc1occc1C(=O)O
InChIInChI=1S/C14H16N2O4/c1-9(2)20-13-11(4-3-6-15-13)16-8-12-10(14(17)18)5-7-19-12/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyRNNHAHGFYUUTSR-UHFFFAOYSA-N
XLogP2.77
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid (CID 103243905) is 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid is CC(C)Oc1ncccc1NCc1occc1C(=O)O.
What is the InChIKey of 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is RNNHAHGFYUUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(2)20-13-11(4-3-6-15-13)16-8-12-10(14(17)18)5-7-19-12/h3-7,9,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid?
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103243905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).