4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one

C24H28ClN3O3 — CID 11510514

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
SMILESCCN(CC)[C@@H](C)COc1ccc(-n2ccc(OCc3ccc(Cl)cn3)cc2=O)cc1
InChIInChI=1S/C24H28ClN3O3/c1-4-27(5-2)18(3)16-30-22-10-8-21(9-11-22)28-13-12-23(14-24(28)29)31-17-20-7-6-19(25)15-26-20/h6-15,18H,4-5,16-17H2,1-3H3/t18-/m0/s1
InChIKeyVUMWGZHARCKTBN-SFHVURJKSA-N
MW441.96 g/mol
LogP4.57
Rot. Bonds10

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one (PubChem CID 11510514) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
PubChem CID11510514
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
SMILESCCN(CC)[C@@H](C)COc1ccc(-n2ccc(OCc3ccc(Cl)cn3)cc2=O)cc1
InChIInChI=1S/C24H28ClN3O3/c1-4-27(5-2)18(3)16-30-22-10-8-21(9-11-22)28-13-12-23(14-24(28)29)31-17-20-7-6-19(25)15-26-20/h6-15,18H,4-5,16-17H2,1-3H3/t18-/m0/s1
InChIKeyVUMWGZHARCKTBN-SFHVURJKSA-N
XLogP4.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.57
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-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one (CID 11510514) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one is CCN(CC)[C@@H](C)COc1ccc(-n2ccc(OCc3ccc(Cl)cn3)cc2=O)cc1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one?
The InChIKey is VUMWGZHARCKTBN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-4-27(5-2)18(3)16-30-22-10-8-21(9-11-22)28-13-12-23(14-24(28)29)31-17-20-7-6-19(25)15-26-20/h6-15,18H,4-5,16-17H2,1-3H3/t18-/m0/s1.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one has a molecular weight of 441.96 g/mol, XLogP of 4.57, 10 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-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one is sourced from PubChem (CID 11510514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).