2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one

C14H16N2O2 — CID 11172595

IUPAC2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
SMILESCn1cc(OCc2ccccc2)c(=O)cc1CN
InChIInChI=1S/C14H16N2O2/c1-16-9-14(13(17)7-12(16)8-15)18-10-11-5-3-2-4-6-11/h2-7,9H,8,10,15H2,1H3
InChIKeyNBKRGGUCKYZORI-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.42
Rot. Bonds4

About 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one

2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one (PubChem CID 11172595) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
PubChem CID11172595
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
SMILESCn1cc(OCc2ccccc2)c(=O)cc1CN
InChIInChI=1S/C14H16N2O2/c1-16-9-14(13(17)7-12(16)8-15)18-10-11-5-3-2-4-6-11/h2-7,9H,8,10,15H2,1H3
InChIKeyNBKRGGUCKYZORI-UHFFFAOYSA-N
XLogP1.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
CID 167438212
1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 155679765
1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
CID 10863568
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398
(2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide
CID 66898272
2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one
CID 140931594
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 42440770
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
CID 4607667
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one?
The IUPAC name of 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one (CID 11172595) is 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one is Cn1cc(OCc2ccccc2)c(=O)cc1CN.
What is the InChIKey of 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one?
The InChIKey is NBKRGGUCKYZORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-9-14(13(17)7-12(16)8-15)18-10-11-5-3-2-4-6-11/h2-7,9H,8,10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one?
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one has a molecular weight of 244.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one is sourced from PubChem (CID 11172595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).