N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide

C12H13F3N4O2 — CID 177253553

IUPACN-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(CN2C[C@@H](C(F)(F)F)NC2=O)c1
InChIInChI=1S/C12H13F3N4O2/c1-7(20)17-9-2-8(3-16-4-9)5-19-6-10(12(13,14)15)18-11(19)21/h2-4,10H,5-6H2,1H3,(H,17,20)(H,18,21)/t10-/m0/s1
InChIKeyCSGGUARHDGMRFR-JTQLQIEISA-N
MW302.26 g/mol
LogP1.50
Rot. Bonds3

About N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide

N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide (PubChem CID 177253553) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide
PubChem CID177253553
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC NameN-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(CN2C[C@@H](C(F)(F)F)NC2=O)c1
InChIInChI=1S/C12H13F3N4O2/c1-7(20)17-9-2-8(3-16-4-9)5-19-6-10(12(13,14)15)18-11(19)21/h2-4,10H,5-6H2,1H3,(H,17,20)(H,18,21)/t10-/m0/s1
InChIKeyCSGGUARHDGMRFR-JTQLQIEISA-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 ≤ 500302.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate
CID 154642710
N-[4-[deuterio-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 177253556
tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate
CID 171790739
2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 177253596
(2S)-2-(benzylcarbamoylamino)-2-(4-methylcyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 171790501
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxamide
CID 154984031
N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide
CID 154984040
(2E)-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-(hydroxymethylidene)-3-imino-4-methylpentanamide
CID 154987823
N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-(difluoromethyl)-1,2,5-oxadiazole-3-carboxamide
CID 154984172
N-[5-[[(1S,5S,15R,21S,28R,32R)-10,37-bis[(5-acetamido-3-pyridinyl)methyl]-9,11,17,19,36,38-hexaoxo-10,18,37-triazatridecacyclo[30.9.1.02,31.03,15.04,29.05,16.06,14.08,12.020,28.021,30.022,27.033,41.035,39]dotetraconta-2(31),3,6,8(12),13,22,24,26,29,33,35(39),40-dodecaen-18-yl]methyl]-3-pyridinyl]acetamide
CID 101480060
(2E)-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-5,5,5-trifluoro-2-hydroxyimino-3-iminopentanamide
CID 154642688

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide (CID 177253553) is N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(CN2C[C@@H](C(F)(F)F)NC2=O)c1.
What is the InChIKey of N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide?
The InChIKey is CSGGUARHDGMRFR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13F3N4O2/c1-7(20)17-9-2-8(3-16-4-9)5-19-6-10(12(13,14)15)18-11(19)21/h2-4,10H,5-6H2,1H3,(H,17,20)(H,18,21)/t10-/m0/s1.
What are the key properties of N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide?
N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide has a molecular weight of 302.26 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-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 177253553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).