N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide

C15H20N2O2 — CID 162099596

IUPACN-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide
SMILESCC1=Cc2cc(C)c(CNC(=O)C(C)C)c(=O)n2C1
InChIInChI=1S/C15H20N2O2/c1-9(2)14(18)16-7-13-11(4)6-12-5-10(3)8-17(12)15(13)19/h5-6,9H,7-8H2,1-4H3,(H,16,18)
InChIKeyZERXEFIBDDYWSE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.85
Rot. Bonds3

About N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide

N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide (PubChem CID 162099596) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide
PubChem CID162099596
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide
SMILESCC1=Cc2cc(C)c(CNC(=O)C(C)C)c(=O)n2C1
InChIInChI=1S/C15H20N2O2/c1-9(2)14(18)16-7-13-11(4)6-12-5-10(3)8-17(12)15(13)19/h5-6,9H,7-8H2,1-4H3,(H,16,18)
InChIKeyZERXEFIBDDYWSE-UHFFFAOYSA-N
XLogP1.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
CID 43810451
2H-Azepin-2-one, 1,3-dihydro-1-(3-dimethylaminopropyl)-3,5,7-trimethyl-, hydrochloride
CID 15492
3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
CID 67124140
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
N-(2-amino-2-oxoethyl)-2-hydroxy-4,6-dimethylnicotinamide
CID 60715860
2-acetyl-6-methyl-5H-pyrrolo[3,4-c]pyridine-1,3,4-trione
CID 279316
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
CID 60472215
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-dimethylurea
CID 72060937
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpent-2-enamide
CID 72155658
6-ethyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-4-carboxamide
CID 74245334

Frequently Asked Questions

What is the IUPAC name of N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide (CID 162099596) is N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide is CC1=Cc2cc(C)c(CNC(=O)C(C)C)c(=O)n2C1.
What is the InChIKey of N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide?
The InChIKey is ZERXEFIBDDYWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)14(18)16-7-13-11(4)6-12-5-10(3)8-17(12)15(13)19/h5-6,9H,7-8H2,1-4H3,(H,16,18).
What are the key properties of N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide?
N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,7-dimethyl-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 162099596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).