3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one

C16H20N2O2 — CID 82517817

IUPAC3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
SMILESCCCOc1ccc(-c2ccc(CNC)c(=O)[nH]2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-10-20-14-7-4-12(5-8-14)15-9-6-13(11-17-2)16(19)18-15/h4-9,17H,3,10-11H2,1-2H3,(H,18,19)
InChIKeyUMTUOGPDLMPADG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds6

About 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one

3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one (PubChem CID 82517817) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
PubChem CID82517817
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
SMILESCCCOc1ccc(-c2ccc(CNC)c(=O)[nH]2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-10-20-14-7-4-12(5-8-14)15-9-6-13(11-17-2)16(19)18-15/h4-9,17H,3,10-11H2,1-2H3,(H,18,19)
InChIKeyUMTUOGPDLMPADG-UHFFFAOYSA-N
XLogP2.55
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 103695252
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
CID 62797291
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylaminomethyl)-1H-pyridin-2-one
CID 82517574
(E)-3-[2-oxo-6-(4-propoxyphenyl)-1H-pyridin-3-yl]prop-2-enoic acid
CID 82517806
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
CID 82520675

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one (CID 82517817) is 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one is CCCOc1ccc(-c2ccc(CNC)c(=O)[nH]2)cc1.
What is the InChIKey of 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one?
The InChIKey is UMTUOGPDLMPADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-20-14-7-4-12(5-8-14)15-9-6-13(11-17-2)16(19)18-15/h4-9,17H,3,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one?
3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82517817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).