N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

C22H21N5O2 — CID 92565334

IUPACN-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESCc1ncc(-c2ccccn2)c(CCNC(=O)CN2Cc3ccccc3C2=O)n1
InChIInChI=1S/C22H21N5O2/c1-15-25-12-18(19-8-4-5-10-23-19)20(26-15)9-11-24-21(28)14-27-13-16-6-2-3-7-17(16)22(27)29/h2-8,10,12H,9,11,13-14H2,1H3,(H,24,28)
InChIKeyNETRLTUJWFHLPD-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 92565334) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID92565334
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESCc1ncc(-c2ccccn2)c(CCNC(=O)CN2Cc3ccccc3C2=O)n1
InChIInChI=1S/C22H21N5O2/c1-15-25-12-18(19-8-4-5-10-23-19)20(26-15)9-11-24-21(28)14-27-13-16-6-2-3-7-17(16)22(27)29/h2-8,10,12H,9,11,13-14H2,1H3,(H,24,28)
InChIKeyNETRLTUJWFHLPD-UHFFFAOYSA-N
XLogP2.16
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide (CID 92565334) is N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide is Cc1ncc(-c2ccccn2)c(CCNC(=O)CN2Cc3ccccc3C2=O)n1.
What is the InChIKey of N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is NETRLTUJWFHLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-25-12-18(19-8-4-5-10-23-19)20(26-15)9-11-24-21(28)14-27-13-16-6-2-3-7-17(16)22(27)29/h2-8,10,12H,9,11,13-14H2,1H3,(H,24,28).
What are the key properties of N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 92565334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).