6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid

C17H19N3O4 — CID 122053563

IUPAC6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1occc1C(=O)NC1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C17H19N3O4/c1-11-13(7-10-24-11)16(21)18-12-5-8-20(9-6-12)15-4-2-3-14(19-15)17(22)23/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,18,21)(H,22,23)
InChIKeyZEPYJWMCSKYQRI-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.08
Rot. Bonds4

About 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053563) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053563
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1occc1C(=O)NC1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C17H19N3O4/c1-11-13(7-10-24-11)16(21)18-12-5-8-20(9-6-12)15-4-2-3-14(19-15)17(22)23/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,18,21)(H,22,23)
InChIKeyZEPYJWMCSKYQRI-UHFFFAOYSA-N
XLogP2.08
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid (CID 122053563) is 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid is Cc1occc1C(=O)NC1CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is ZEPYJWMCSKYQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-13(7-10-24-11)16(21)18-12-5-8-20(9-6-12)15-4-2-3-14(19-15)17(22)23/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).