5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one

C24H23ClN2O3 — CID 157069626

IUPAC5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one
SMILESCCn1cc(OCC2(c3ccccc3)CC2C(=O)Cc2ccc(Cl)cn2)ccc1=O
InChIInChI=1S/C24H23ClN2O3/c1-2-27-15-20(10-11-23(27)29)30-16-24(17-6-4-3-5-7-17)13-21(24)22(28)12-19-9-8-18(25)14-26-19/h3-11,14-15,21H,2,12-13,16H2,1H3
InChIKeyACGTYPCTXLXNRW-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.07
Rot. Bonds8

About 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one

5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one (PubChem CID 157069626) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one
PubChem CID157069626
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one
SMILESCCn1cc(OCC2(c3ccccc3)CC2C(=O)Cc2ccc(Cl)cn2)ccc1=O
InChIInChI=1S/C24H23ClN2O3/c1-2-27-15-20(10-11-23(27)29)30-16-24(17-6-4-3-5-7-17)13-21(24)22(28)12-19-9-8-18(25)14-26-19/h3-11,14-15,21H,2,12-13,16H2,1H3
InChIKeyACGTYPCTXLXNRW-UHFFFAOYSA-N
XLogP4.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one?
The IUPAC name of 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one (CID 157069626) is 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one is CCn1cc(OCC2(c3ccccc3)CC2C(=O)Cc2ccc(Cl)cn2)ccc1=O.
What is the InChIKey of 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one?
The InChIKey is ACGTYPCTXLXNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-2-27-15-20(10-11-23(27)29)30-16-24(17-6-4-3-5-7-17)13-21(24)22(28)12-19-9-8-18(25)14-26-19/h3-11,14-15,21H,2,12-13,16H2,1H3.
What are the key properties of 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one?
5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one has a molecular weight of 422.91 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(5-chloro-2-pyridinyl)acetyl]-1-phenylcyclopropyl]methoxy]-1-ethylpyridin-2-one is sourced from PubChem (CID 157069626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).