2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide

C14H15F3N2O2 — CID 147686592

IUPAC2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1c(C(F)(F)F)cc2n(c1=O)CC=C2
InChIInChI=1S/C14H15F3N2O2/c1-8(2)12(20)18-7-10-11(14(15,16)17)6-9-4-3-5-19(9)13(10)21/h3-4,6,8H,5,7H2,1-2H3,(H,18,20)
InChIKeyGQDNDPNATROKIY-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide

2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide (PubChem CID 147686592) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide
PubChem CID147686592
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1c(C(F)(F)F)cc2n(c1=O)CC=C2
InChIInChI=1S/C14H15F3N2O2/c1-8(2)12(20)18-7-10-11(14(15,16)17)6-9-4-3-5-19(9)13(10)21/h3-4,6,8H,5,7H2,1-2H3,(H,18,20)
InChIKeyGQDNDPNATROKIY-UHFFFAOYSA-N
XLogP2.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 71859348
6-(Heptafluoropropyl)-2-oxo-N-propyl-1,2-dihydropyridine-3-carboxamide
CID 59828242
N-(1-Methylpropyl)-2-oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828247
3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-2(1h)-pyridinone
CID 67124055
3-(Aminomethyl)-4-methyl-6-(trifluoromethyl)pyridin-2-ol
CID 71433049
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
CID 90102279
3-(Aminomethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 90143574
3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride HCl salt
CID 90150835
N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]acetamide
CID 121371061
3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide (CID 147686592) is 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide is CC(C)C(=O)NCc1c(C(F)(F)F)cc2n(c1=O)CC=C2.
What is the InChIKey of 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide?
The InChIKey is GQDNDPNATROKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-8(2)12(20)18-7-10-11(14(15,16)17)6-9-4-3-5-19(9)13(10)21/h3-4,6,8H,5,7H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide?
2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide has a molecular weight of 300.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide is sourced from PubChem (CID 147686592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).