2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C18H21N5O3 — CID 70722653

IUPAC2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCN1CCCCC1=O)c1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C18H21N5O3/c1-22(10-11-23-9-3-2-4-16(23)24)18-20-8-6-14(21-18)15-12-13(17(25)26)5-7-19-15/h5-8,12H,2-4,9-11H2,1H3,(H,25,26)
InChIKeyFHKHWIIIJNPZAU-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70722653) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70722653
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCN1CCCCC1=O)c1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C18H21N5O3/c1-22(10-11-23-9-3-2-4-16(23)24)18-20-8-6-14(21-18)15-12-13(17(25)26)5-7-19-15/h5-8,12H,2-4,9-11H2,1H3,(H,25,26)
InChIKeyFHKHWIIIJNPZAU-UHFFFAOYSA-N
XLogP1.69
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70722653) is 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid is CN(CCN1CCCCC1=O)c1nccc(-c2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is FHKHWIIIJNPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-22(10-11-23-9-3-2-4-16(23)24)18-20-8-6-14(21-18)15-12-13(17(25)26)5-7-19-15/h5-8,12H,2-4,9-11H2,1H3,(H,25,26).
What are the key properties of 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70722653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).