5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid

C20H32N4O4 — CID 86769151

IUPAC5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCC(=O)Nc1cnc(N2CCC(N(C)CCCOC(C)C)CC2)c(C(=O)O)c1
InChIInChI=1S/C20H32N4O4/c1-14(2)28-11-5-8-23(4)17-6-9-24(10-7-17)19-18(20(26)27)12-16(13-21-19)22-15(3)25/h12-14,17H,5-11H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyZTQWDNLOYOWSNO-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.45
Rot. Bonds9

About 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid

5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 86769151) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID86769151
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCC(=O)Nc1cnc(N2CCC(N(C)CCCOC(C)C)CC2)c(C(=O)O)c1
InChIInChI=1S/C20H32N4O4/c1-14(2)28-11-5-8-23(4)17-6-9-24(10-7-17)19-18(20(26)27)12-16(13-21-19)22-15(3)25/h12-14,17H,5-11H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyZTQWDNLOYOWSNO-UHFFFAOYSA-N
XLogP2.45
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid (CID 86769151) is 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid is CC(=O)Nc1cnc(N2CCC(N(C)CCCOC(C)C)CC2)c(C(=O)O)c1.
What is the InChIKey of 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is ZTQWDNLOYOWSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-14(2)28-11-5-8-23(4)17-6-9-24(10-7-17)19-18(20(26)27)12-16(13-21-19)22-15(3)25/h12-14,17H,5-11H2,1-4H3,(H,22,25)(H,26,27).
What are the key properties of 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid?
5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 392.50 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 86769151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).