3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one

C17H22N2O2 — CID 11150355

IUPAC3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCOc1cccc(Cc2c(CC)c(C)[nH]c(=O)c2N)c1
InChIInChI=1S/C17H22N2O2/c1-4-14-11(3)19-17(20)16(18)15(14)10-12-7-6-8-13(9-12)21-5-2/h6-9H,4-5,10,18H2,1-3H3,(H,19,20)
InChIKeyWRORDHHFSGXJLD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.82
Rot. Bonds5

About 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one

3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 11150355) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID11150355
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCOc1cccc(Cc2c(CC)c(C)[nH]c(=O)c2N)c1
InChIInChI=1S/C17H22N2O2/c1-4-14-11(3)19-17(20)16(18)15(14)10-12-7-6-8-13(9-12)21-5-2/h6-9H,4-5,10,18H2,1-3H3,(H,19,20)
InChIKeyWRORDHHFSGXJLD-UHFFFAOYSA-N
XLogP2.82
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde
CID 11289935
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CID 79885244
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905042
5-[(3-butoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 11778100
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
(3-ethoxyphenyl)methyl-trimethylazanium
CID 23274216
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
3-[[benzyl(methyl)amino]methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
CID 696542
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
CID 105328109
N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 154858210

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one (CID 11150355) is 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one is CCOc1cccc(Cc2c(CC)c(C)[nH]c(=O)c2N)c1.
What is the InChIKey of 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is WRORDHHFSGXJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-14-11(3)19-17(20)16(18)15(14)10-12-7-6-8-13(9-12)21-5-2/h6-9H,4-5,10,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 11150355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).