3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one

C15H19N3O2 — CID 107017591

IUPAC3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one
SMILESCOc1c(C)cnc(Cn2cccc(CN)c2=O)c1C
InChIInChI=1S/C15H19N3O2/c1-10-8-17-13(11(2)14(10)20-3)9-18-6-4-5-12(7-16)15(18)19/h4-6,8H,7,9,16H2,1-3H3
InChIKeyDKJKHCUEVORLAU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.38
Rot. Bonds4

About 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one

3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one (PubChem CID 107017591) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one
PubChem CID107017591
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one
SMILESCOc1c(C)cnc(Cn2cccc(CN)c2=O)c1C
InChIInChI=1S/C15H19N3O2/c1-10-8-17-13(11(2)14(10)20-3)9-18-6-4-5-12(7-16)15(18)19/h4-6,8H,7,9,16H2,1-3H3
InChIKeyDKJKHCUEVORLAU-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

[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 55048942
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
CID 115679486
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604585
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 28981665
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 49466355
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647583
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 66309659
(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 95627431
5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 58014058
3-bromo-1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pyridin-2-one
CID 103182088
[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazol-3-yl]amino]methanethiol
CID 140695153

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one (CID 107017591) is 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one is COc1c(C)cnc(Cn2cccc(CN)c2=O)c1C.
What is the InChIKey of 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one?
The InChIKey is DKJKHCUEVORLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-8-17-13(11(2)14(10)20-3)9-18-6-4-5-12(7-16)15(18)19/h4-6,8H,7,9,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one?
3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-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-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 107017591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).