3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one

C15H19N3O2 — CID 107073231

IUPAC3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one
SMILESCOc1cc(C)nc(Cn2c(C)ccc(CN)c2=O)c1
InChIInChI=1S/C15H19N3O2/c1-10-6-14(20-3)7-13(17-10)9-18-11(2)4-5-12(8-16)15(18)19/h4-7H,8-9,16H2,1-3H3
InChIKeyHYJBNXQQLMGYNJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.38
Rot. Bonds4

About 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one

3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one (PubChem CID 107073231) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one
PubChem CID107073231
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one
SMILESCOc1cc(C)nc(Cn2c(C)ccc(CN)c2=O)c1
InChIInChI=1S/C15H19N3O2/c1-10-6-14(20-3)7-13(17-10)9-18-11(2)4-5-12(8-16)15(18)19/h4-7H,8-9,16H2,1-3H3
InChIKeyHYJBNXQQLMGYNJ-UHFFFAOYSA-N
XLogP1.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 107073142
3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82188978
2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 82895978
4-methoxy-2-methyl-6-(pyrrol-1-ylmethyl)pyridine
CID 82896081
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891533
methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate
CID 107073197
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one
CID 82892859
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 82893021

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one (CID 107073231) is 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one is COc1cc(C)nc(Cn2c(C)ccc(CN)c2=O)c1.
What is the InChIKey of 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one?
The InChIKey is HYJBNXQQLMGYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-14(20-3)7-13(17-10)9-18-11(2)4-5-12(8-16)15(18)19/h4-7H,8-9,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one?
3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 107073231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).