N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

C18H22N2O2 — CID 74248825

IUPACN-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(C)c(CNC(=O)CCn2c(C)cccc2=O)c1
InChIInChI=1S/C18H22N2O2/c1-13-7-8-14(2)16(11-13)12-19-17(21)9-10-20-15(3)5-4-6-18(20)22/h4-8,11H,9-10,12H2,1-3H3,(H,19,21)
InChIKeyGPITURUGIDWFDJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.48
Rot. Bonds5

About N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 74248825) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID74248825
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(C)c(CNC(=O)CCn2c(C)cccc2=O)c1
InChIInChI=1S/C18H22N2O2/c1-13-7-8-14(2)16(11-13)12-19-17(21)9-10-20-15(3)5-4-6-18(20)22/h4-8,11H,9-10,12H2,1-3H3,(H,19,21)
InChIKeyGPITURUGIDWFDJ-UHFFFAOYSA-N
XLogP2.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 110688931
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 122568013
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110779654
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441730
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441731
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 118774071
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 125439672

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (CID 74248825) is N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is Cc1ccc(C)c(CNC(=O)CCn2c(C)cccc2=O)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is GPITURUGIDWFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-7-8-14(2)16(11-13)12-19-17(21)9-10-20-15(3)5-4-6-18(20)22/h4-8,11H,9-10,12H2,1-3H3,(H,19,21).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 74248825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).