1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide

C19H21F3N2O3 — CID 86845813

IUPAC1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)NCCCOCC(F)(F)F)c2=O)c1
InChIInChI=1S/C19H21F3N2O3/c1-14-5-2-6-15(11-14)12-24-9-3-7-16(18(24)26)17(25)23-8-4-10-27-13-19(20,21)22/h2-3,5-7,9,11H,4,8,10,12-13H2,1H3,(H,23,25)
InChIKeyAMEYSXQQOWMXQY-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.90
Rot. Bonds8

About 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide

1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide (PubChem CID 86845813) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
PubChem CID86845813
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)NCCCOCC(F)(F)F)c2=O)c1
InChIInChI=1S/C19H21F3N2O3/c1-14-5-2-6-15(11-14)12-24-9-3-7-16(18(24)26)17(25)23-8-4-10-27-13-19(20,21)22/h2-3,5-7,9,11H,4,8,10,12-13H2,1H3,(H,23,25)
InChIKeyAMEYSXQQOWMXQY-UHFFFAOYSA-N
XLogP2.90
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215
tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate
CID 59362456
2-[(3-methylphenyl)methylsulfanyl]-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86929058
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 111445693
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 86804608
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523143
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523154
N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 7598829
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 52539461

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide (CID 86845813) is 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)NCCCOCC(F)(F)F)c2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide?
The InChIKey is AMEYSXQQOWMXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-14-5-2-6-15(11-14)12-24-9-3-7-16(18(24)26)17(25)23-8-4-10-27-13-19(20,21)22/h2-3,5-7,9,11H,4,8,10,12-13H2,1H3,(H,23,25).
What are the key properties of 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide?
1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 86845813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).