1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one

C19H26N2O — CID 82421084

IUPAC1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
SMILESCCc1ccc(-n2cc(CNCC(C)C)c(=O)cc2C)cc1
InChIInChI=1S/C19H26N2O/c1-5-16-6-8-18(9-7-16)21-13-17(12-20-11-14(2)3)19(22)10-15(21)4/h6-10,13-14,20H,5,11-12H2,1-4H3
InChIKeyNPHFBDVWGFQYEN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.45
Rot. Bonds6

About 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one

1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one (PubChem CID 82421084) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
PubChem CID82421084
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
SMILESCCc1ccc(-n2cc(CNCC(C)C)c(=O)cc2C)cc1
InChIInChI=1S/C19H26N2O/c1-5-16-6-8-18(9-7-16)21-13-17(12-20-11-14(2)3)19(22)10-15(21)4/h6-10,13-14,20H,5,11-12H2,1-4H3
InChIKeyNPHFBDVWGFQYEN-UHFFFAOYSA-N
XLogP3.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
CID 82421850
1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one
CID 82422131
5-(butylaminomethyl)-1-(3,4-dimethylphenyl)-2-methylpyridin-4-one
CID 82421165
1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82421096
5-(butylaminomethyl)-1-(2,5-difluorophenyl)-2-methylpyridin-4-one
CID 82421579
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]-2-methylpropan-1-amine
CID 82448230
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262
1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420708
4-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
CID 66085555
5-(chloromethyl)-1-(3-chloro-4-methylphenyl)-2-methylpyridin-4-one
CID 82419425
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63059986
3-methyl-4-[4-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
CID 66062753

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one?
The IUPAC name of 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one (CID 82421084) is 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one is CCc1ccc(-n2cc(CNCC(C)C)c(=O)cc2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one?
The InChIKey is NPHFBDVWGFQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-5-16-6-8-18(9-7-16)21-13-17(12-20-11-14(2)3)19(22)10-15(21)4/h6-10,13-14,20H,5,11-12H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one?
1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one has a molecular weight of 298.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one is sourced from PubChem (CID 82421084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).