1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one

C15H18N2O3 — CID 62881699

IUPAC1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one
SMILESCOc1ccc(C(N)Cn2ccc(=O)cc2)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-19-12-3-4-13(15(9-12)20-2)14(16)10-17-7-5-11(18)6-8-17/h3-9,14H,10,16H2,1-2H3
InChIKeyVZTXNNYBUHJBMJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds5

About 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one

1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one (PubChem CID 62881699) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one
PubChem CID62881699
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one
SMILESCOc1ccc(C(N)Cn2ccc(=O)cc2)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-19-12-3-4-13(15(9-12)20-2)14(16)10-17-7-5-11(18)6-8-17/h3-9,14H,10,16H2,1-2H3
InChIKeyVZTXNNYBUHJBMJ-UHFFFAOYSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212302
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine
CID 16781353
2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548597
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,4-dimethoxyphenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420654

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one (CID 62881699) is 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one is COc1ccc(C(N)Cn2ccc(=O)cc2)c(OC)c1.
What is the InChIKey of 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one?
The InChIKey is VZTXNNYBUHJBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-12-3-4-13(15(9-12)20-2)14(16)10-17-7-5-11(18)6-8-17/h3-9,14H,10,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one?
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one has a molecular weight of 274.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one is sourced from PubChem (CID 62881699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).