tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate

C17H22F3N5O4 — CID 171790739

IUPACtert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1
InChIInChI=1S/C17H22F3N5O4/c1-16(2,3)29-15(28)22-7-13(26)24-12-6-10(4-5-21-12)8-25-9-11(17(18,19)20)23-14(25)27/h4-6,11H,7-9H2,1-3H3,(H,22,28)(H,23,27)(H,21,24,26)/t11-/m0/s1
InChIKeyKCAHXDZLGIDPEU-NSHDSACASA-N
MW417.39 g/mol
LogP2.00
Rot. Bonds5

About tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate (PubChem CID 171790739) has the molecular formula C17H22F3N5O4 and a molecular weight of 417.39 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate
PubChem CID171790739
Molecular FormulaC17H22F3N5O4
Molecular Weight417.39 g/mol
Exact Mass417.16
IUPAC Nametert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1
InChIInChI=1S/C17H22F3N5O4/c1-16(2,3)29-15(28)22-7-13(26)24-12-6-10(4-5-21-12)8-25-9-11(17(18,19)20)23-14(25)27/h4-6,11H,7-9H2,1-3H3,(H,22,28)(H,23,27)(H,21,24,26)/t11-/m0/s1
InChIKeyKCAHXDZLGIDPEU-NSHDSACASA-N
XLogP2.00
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate
CID 154642710
2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 177253596
N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]butan-2-yl]-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 171790847
4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 171790617
4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 171791002
(2S)-2-(benzylcarbamoylamino)-2-(4-methylcyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 171790501
methyl (5S)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]-2-oxo-5-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 171790813
N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 177311087
N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide
CID 177253553
tert-butyl (3S)-3-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidin-4-yl]oxypyrrolidine-1-carboxylate
CID 59506100
3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide
CID 171790532
tert-butyl N-[4-[2-methoxy-1-[(5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]ethyl]-2-pyridinyl]carbamate
CID 171791040

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate (CID 171790739) is tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate?
The InChIKey is KCAHXDZLGIDPEU-NSHDSACASA-N. The full InChI is InChI=1S/C17H22F3N5O4/c1-16(2,3)29-15(28)22-7-13(26)24-12-6-10(4-5-21-12)8-25-9-11(17(18,19)20)23-14(25)27/h4-6,11H,7-9H2,1-3H3,(H,22,28)(H,23,27)(H,21,24,26)/t11-/m0/s1.
What are the key properties of tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate has a molecular weight of 417.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate is sourced from PubChem (CID 171790739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).