N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide

C12H13F3N4O2 — CID 177253556

IUPACN-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
SMILES[2H]C(c1ccnc(NC(C)=O)c1)N1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C12H13F3N4O2/c1-7(20)17-10-4-8(2-3-16-10)5-19-6-9(12(13,14)15)18-11(19)21/h2-4,9H,5-6H2,1H3,(H,18,21)(H,16,17,20)/t9-/m0/s1/i5D/t5?,9-
InChIKeyVMWHALPKFLOCSM-IWKQPEMFSA-N
MW303.26 g/mol
LogP1.50
Rot. Bonds3

About N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide

N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide (PubChem CID 177253556) has the molecular formula C12H13F3N4O2 and a molecular weight of 303.26 g/mol. Its IUPAC name is N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
PubChem CID177253556
Molecular FormulaC12H13F3N4O2
Molecular Weight303.26 g/mol
Exact Mass303.11
IUPAC NameN-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
SMILES[2H]C(c1ccnc(NC(C)=O)c1)N1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C12H13F3N4O2/c1-7(20)17-10-4-8(2-3-16-10)5-19-6-9(12(13,14)15)18-11(19)21/h2-4,9H,5-6H2,1H3,(H,18,21)(H,16,17,20)/t9-/m0/s1/i5D/t5?,9-
InChIKeyVMWHALPKFLOCSM-IWKQPEMFSA-N
XLogP1.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 177253596
tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate
CID 171790739
N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide
CID 177253553
(2S)-2-(benzylcarbamoylamino)-2-(4-methylcyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 171790501
N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 177311087
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
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
tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate
CID 154642710
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
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 125009624

Frequently Asked Questions

What is the IUPAC name of N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide (CID 177253556) is N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide is [2H]C(c1ccnc(NC(C)=O)c1)N1C[C@@H](C(F)(F)F)NC1=O.
What is the InChIKey of N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The InChIKey is VMWHALPKFLOCSM-IWKQPEMFSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c1-7(20)17-10-4-8(2-3-16-10)5-19-6-9(12(13,14)15)18-11(19)21/h2-4,9H,5-6H2,1H3,(H,18,21)(H,16,17,20)/t9-/m0/s1/i5D/t5?,9-.
What are the key properties of N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide has a molecular weight of 303.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 177253556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).