5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one

C14H17N3O3 — CID 103172820

IUPAC5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccnc(Cn2cc(N)c(C)cc2=O)c1OC
InChIInChI=1S/C14H17N3O3/c1-9-6-13(18)17(7-10(9)15)8-11-14(20-3)12(19-2)4-5-16-11/h4-7H,8,15H2,1-3H3
InChIKeyVKVUZXVIKZFGJD-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.20
Rot. Bonds4

About 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one

5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one (PubChem CID 103172820) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
PubChem CID103172820
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccnc(Cn2cc(N)c(C)cc2=O)c1OC
InChIInChI=1S/C14H17N3O3/c1-9-6-13(18)17(7-10(9)15)8-11-14(20-3)12(19-2)4-5-16-11/h4-7H,8,15H2,1-3H3
InChIKeyVKVUZXVIKZFGJD-UHFFFAOYSA-N
XLogP1.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2(1H)-Pyridinone, 5-ethyl-3-(((3-methoxy-2-pyridinyl)methyl)amino)-6-methyl-
CID 454366
2(1H)-Pyridinone, 5-ethyl-3-(((3-methoxy-4-pyridinyl)methyl)amino)-6-methyl-
CID 454364
1-[2-(4-Benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 127039739
(3-Methoxypyridin-2-yl)methanamine
CID 45079526
3,4-Dimethoxy-2-{[3-(2-phenylethyl)-1-piperidinyl]methyl}pyridine
CID 56901145
Ammonium, dibutyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester)
CID 48319
Ammonium, diethyl(3-hydroxy-2-pyridylmethyl)methyl-, bromide, dimethylcarbamate (ester)
CID 48331
Ammonium, ((3-hydroxy-2-pyridyl)methyl)triethyl-, bromide, dimethylcarbamate (ester)
CID 48667
Ammonium, (3-hydroxy-2-pyridyl)methyltrimethyl-, bromide, diisopropylcarbamate (ester)
CID 48673
Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, dimethylcarbamate (ester)
CID 48675
Carbamic acid, N-methyl-N-phenyl-, (2-(diethylamino)methyl-3-pyridyl)ester, hydrochloride
CID 50674
Carbamic acid, dimethyl-, (2-((dimethylamino)methyl)-3-pyridyl) ester, hydrochloride
CID 50803

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one (CID 103172820) is 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one is COc1ccnc(Cn2cc(N)c(C)cc2=O)c1OC.
What is the InChIKey of 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one?
The InChIKey is VKVUZXVIKZFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-6-13(18)17(7-10(9)15)8-11-14(20-3)12(19-2)4-5-16-11/h4-7H,8,15H2,1-3H3.
What are the key properties of 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one?
5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one has a molecular weight of 275.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 103172820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).