4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one

C25H26ClN3O3 — CID 71730921

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN2CCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O
InChIInChI=1S/C25H26ClN3O3/c1-18-12-19(15-28-9-2-3-10-28)4-7-23(18)24(30)16-29-11-8-22(13-25(29)31)32-17-21-6-5-20(26)14-27-21/h4-8,11-14H,2-3,9-10,15-17H2,1H3
InChIKeyOCARYIBJMNSOHR-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.26
Rot. Bonds8

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one (PubChem CID 71730921) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
PubChem CID71730921
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN2CCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O
InChIInChI=1S/C25H26ClN3O3/c1-18-12-19(15-28-9-2-3-10-28)4-7-23(18)24(30)16-29-11-8-22(13-25(29)31)32-17-21-6-5-20(26)14-27-21/h4-8,11-14H,2-3,9-10,15-17H2,1H3
InChIKeyOCARYIBJMNSOHR-UHFFFAOYSA-N
XLogP4.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one (CID 71730921) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one is Cc1cc(CN2CCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one?
The InChIKey is OCARYIBJMNSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-18-12-19(15-28-9-2-3-10-28)4-7-23(18)24(30)16-29-11-8-22(13-25(29)31)32-17-21-6-5-20(26)14-27-21/h4-8,11-14H,2-3,9-10,15-17H2,1H3.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one has a molecular weight of 451.95 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 71730921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).