3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane

C29H36N4O2 — CID 159817898

IUPAC3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane
SMILESC.Cc1cc(Cc2ccccc2)[nH]c(=O)c1CN.Cc1cc(Cc2ccccc2)c(CN)c(=O)[nH]1
InChIInChI=1S/2C14H16N2O.CH4/c1-10-7-12(13(9-15)14(17)16-10)8-11-5-3-2-4-6-11;1-10-7-12(16-14(17)13(10)9-15)8-11-5-3-2-4-6-11;/h2*2-7H,8-9,15H2,1H3,(H,16,17);1H4
InChIKeyNLVWFEZQHWSHMB-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.10
Rot. Bonds6

About 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane

3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane (PubChem CID 159817898) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane.

Molecular Properties

Compound Name3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane
PubChem CID159817898
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane
SMILESC.Cc1cc(Cc2ccccc2)[nH]c(=O)c1CN.Cc1cc(Cc2ccccc2)c(CN)c(=O)[nH]1
InChIInChI=1S/2C14H16N2O.CH4/c1-10-7-12(13(9-15)14(17)16-10)8-11-5-3-2-4-6-11;1-10-7-12(16-14(17)13(10)9-15)8-11-5-3-2-4-6-11;/h2*2-7H,8-9,15H2,1H3,(H,16,17);1H4
InChIKeyNLVWFEZQHWSHMB-UHFFFAOYSA-N
XLogP4.10
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane
CID 144554900
3-(aminomethyl)-4-[[3-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methylamino]phenyl]methyl]-6-methyl-1H-pyridin-2-one
CID 126549242
4-benzyl-3,6-dimethyl-1H-pyridin-2-one
CID 71293406
4-benzyl-3-isocyano-6-methyl-1H-pyridin-2-one
CID 123526047
(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl N-(2-methylpropyl)carbamate
CID 123631145
tert-butyl N-[(6-benzyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 67951732
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate
CID 57229167
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one
CID 82189666
CID 88889052
CID 88889052

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane?
The IUPAC name of 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane (CID 159817898) is 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane.
What is the SMILES notation for 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane?
The canonical SMILES for 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane is C.Cc1cc(Cc2ccccc2)[nH]c(=O)c1CN.Cc1cc(Cc2ccccc2)c(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane?
The InChIKey is NLVWFEZQHWSHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16N2O.CH4/c1-10-7-12(13(9-15)14(17)16-10)8-11-5-3-2-4-6-11;1-10-7-12(16-14(17)13(10)9-15)8-11-5-3-2-4-6-11;/h2*2-7H,8-9,15H2,1H3,(H,16,17);1H4.
What are the key properties of 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane?
3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane has a molecular weight of 472.63 g/mol, XLogP of 4.10, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-benzyl-6-methyl-1H-pyridin-2-one;3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;methane is sourced from PubChem (CID 159817898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).