2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C17H19N5O3 — CID 70740034

IUPAC2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(NCCN3CCCCC3=O)n2)c1
InChIInChI=1S/C17H19N5O3/c23-15-3-1-2-9-22(15)10-8-20-17-19-7-5-13(21-17)14-11-12(16(24)25)4-6-18-14/h4-7,11H,1-3,8-10H2,(H,24,25)(H,19,20,21)
InChIKeyOCFSRKLLCPSWNQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.66
Rot. Bonds6

About 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70740034) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70740034
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(NCCN3CCCCC3=O)n2)c1
InChIInChI=1S/C17H19N5O3/c23-15-3-1-2-9-22(15)10-8-20-17-19-7-5-13(21-17)14-11-12(16(24)25)4-6-18-14/h4-7,11H,1-3,8-10H2,(H,24,25)(H,19,20,21)
InChIKeyOCFSRKLLCPSWNQ-UHFFFAOYSA-N
XLogP1.66
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70740034) is 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccnc(NCCN3CCCCC3=O)n2)c1.
What is the InChIKey of 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is OCFSRKLLCPSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-15-3-1-2-9-22(15)10-8-20-17-19-7-5-13(21-17)14-11-12(16(24)25)4-6-18-14/h4-7,11H,1-3,8-10H2,(H,24,25)(H,19,20,21).
What are the key properties of 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-oxopiperidin-1-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70740034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).