6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one

C18H24N2O2 — CID 82517956

IUPAC6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCCOc1ccc(-c2ccc(CNC(C)C)c(=O)n2C)cc1
InChIInChI=1S/C18H24N2O2/c1-5-22-16-9-6-14(7-10-16)17-11-8-15(12-19-13(2)3)18(21)20(17)4/h6-11,13,19H,5,12H2,1-4H3
InChIKeyQQCPKIKVJUBAFQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.95
Rot. Bonds6

About 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one

6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one (PubChem CID 82517956) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
PubChem CID82517956
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCCOc1ccc(-c2ccc(CNC(C)C)c(=O)n2C)cc1
InChIInChI=1S/C18H24N2O2/c1-5-22-16-9-6-14(7-10-16)17-11-8-15(12-19-13(2)3)18(21)20(17)4/h6-11,13,19H,5,12H2,1-4H3
InChIKeyQQCPKIKVJUBAFQ-UHFFFAOYSA-N
XLogP2.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517951
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
CID 82519652
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
3-(2-aminopropan-2-yl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517946
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
CID 82521254
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
3-(1-aminoethyl)-6-(4-ethoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82517914
4-ethoxy-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 115602892
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82467100

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The IUPAC name of 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one (CID 82517956) is 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one is CCOc1ccc(-c2ccc(CNC(C)C)c(=O)n2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The InChIKey is QQCPKIKVJUBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-22-16-9-6-14(7-10-16)17-11-8-15(12-19-13(2)3)18(21)20(17)4/h6-11,13,19H,5,12H2,1-4H3.
What are the key properties of 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82517956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).