6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one

C21H22N2O3 — CID 175904139

IUPAC6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C2=NCC(=O)C=C2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-19-8-3-16(4-9-19)14-23(21-12-7-18(24)13-22-21)15-17-5-10-20(26-2)11-6-17/h3-12H,13-15H2,1-2H3
InChIKeyUZUZLEYSMZEVLH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.24
Rot. Bonds6

About 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one

6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one (PubChem CID 175904139) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one.

Molecular Properties

Compound Name6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one
PubChem CID175904139
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C2=NCC(=O)C=C2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-19-8-3-16(4-9-19)14-23(21-12-7-18(24)13-22-21)15-17-5-10-20(26-2)11-6-17/h3-12H,13-15H2,1-2H3
InChIKeyUZUZLEYSMZEVLH-UHFFFAOYSA-N
XLogP3.24
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
CID 176803994
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine
CID 122215032
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
CID 138519134
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548209

Frequently Asked Questions

What is the IUPAC name of 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one?
The IUPAC name of 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one (CID 175904139) is 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one.
What is the SMILES notation for 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one?
The canonical SMILES for 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one is COc1ccc(CN(Cc2ccc(OC)cc2)C2=NCC(=O)C=C2)cc1.
What is the InChIKey of 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one?
The InChIKey is UZUZLEYSMZEVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-19-8-3-16(4-9-19)14-23(21-12-7-18(24)13-22-21)15-17-5-10-20(26-2)11-6-17/h3-12H,13-15H2,1-2H3.
What are the key properties of 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one?
6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one has a molecular weight of 350.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one is sourced from PubChem (CID 175904139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).