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

C26H28ClN3O3 — CID 91759556

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O
InChIInChI=1S/C26H28ClN3O3/c1-19-13-20(16-29-10-3-2-4-11-29)5-8-24(19)25(31)17-30-12-9-23(14-26(30)32)33-18-22-7-6-21(27)15-28-22/h5-9,12-15H,2-4,10-11,16-18H2,1H3
InChIKeyLCOPKCRDFKLQOX-UHFFFAOYSA-N
MW465.98 g/mol
LogP4.65
Rot. Bonds8

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

4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one (PubChem CID 91759556) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
PubChem CID91759556
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O
InChIInChI=1S/C26H28ClN3O3/c1-19-13-20(16-29-10-3-2-4-11-29)5-8-24(19)25(31)17-30-12-9-23(14-26(30)32)33-18-22-7-6-21(27)15-28-22/h5-9,12-15H,2-4,10-11,16-18H2,1H3
InChIKeyLCOPKCRDFKLQOX-UHFFFAOYSA-N
XLogP4.65
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.65
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-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one (CID 91759556) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-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-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one is Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one?
The InChIKey is LCOPKCRDFKLQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c1-19-13-20(16-29-10-3-2-4-11-29)5-8-24(19)25(31)17-30-12-9-23(14-26(30)32)33-18-22-7-6-21(27)15-28-22/h5-9,12-15H,2-4,10-11,16-18H2,1H3.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one has a molecular weight of 465.98 g/mol, XLogP of 4.65, 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-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 91759556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).