tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate

C19H21F3N2O3 — CID 101469718

IUPACtert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(F)(F)F)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C19H21F3N2O3/c1-18(2,3)27-17(26)23-11-15-9-14(19(20,21)22)10-16(25)24(15)12-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,23,26)
InChIKeyDOWLCRLBZAUOMQ-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.94
Rot. Bonds4

About tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate

tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate (PubChem CID 101469718) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
PubChem CID101469718
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Nametert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(F)(F)F)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C19H21F3N2O3/c1-18(2,3)27-17(26)23-11-15-9-14(19(20,21)22)10-16(25)24(15)12-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,23,26)
InChIKeyDOWLCRLBZAUOMQ-UHFFFAOYSA-N
XLogP3.94
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Ethylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10093766
2-(3-Amino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10250073
2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide
CID 10323328
{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid methyl ester
CID 10366641
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
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tert-Butyl 4-Oxo-1-pentyl-6-phenyl-1,4-dihydropyridin-3-ylcarbamate
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2-(3-Acetylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10071747
N-Benzyl-N'-boc-ethylenediamine
CID 10634443
tert-butyl N-((benzylcarbamoyl)methyl)carbamate
CID 10635340
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 6b
CID 44473104
tert-butyl N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]carbamate
CID 69154864
tert-Butyl 3-((4-(trifluoromethyl)benzyl)amino)azetidine-1-carboxylate
CID 103645810

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate (CID 101469718) is tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(C(F)(F)F)cc(=O)n1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is DOWLCRLBZAUOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-18(2,3)27-17(26)23-11-15-9-14(19(20,21)22)10-16(25)24(15)12-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 382.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 101469718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).