N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide

C14H18F3N5O2 — CID 177311087

IUPACN-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILES[2H]c1nnc(NC(=O)C(C)(C)C)cc1CN1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C14H18F3N5O2/c1-13(2,3)11(23)20-10-4-8(5-18-21-10)6-22-7-9(14(15,16)17)19-12(22)24/h4-5,9H,6-7H2,1-3H3,(H,19,24)(H,20,21,23)/t9-/m0/s1/i5D
InChIKeyNLUKIAZESIIUHO-QEQACUKCSA-N
MW346.33 g/mol
LogP1.92
Rot. Bonds3

About N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 177311087) has the molecular formula C14H18F3N5O2 and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID177311087
Molecular FormulaC14H18F3N5O2
Molecular Weight346.33 g/mol
Exact Mass346.15
IUPAC NameN-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILES[2H]c1nnc(NC(=O)C(C)(C)C)cc1CN1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C14H18F3N5O2/c1-13(2,3)11(23)20-10-4-8(5-18-21-10)6-22-7-9(14(15,16)17)19-12(22)24/h4-5,9H,6-7H2,1-3H3,(H,19,24)(H,20,21,23)/t9-/m0/s1/i5D
InChIKeyNLUKIAZESIIUHO-QEQACUKCSA-N
XLogP1.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide (CID 177311087) is N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide is [2H]c1nnc(NC(=O)C(C)(C)C)cc1CN1C[C@@H](C(F)(F)F)NC1=O.
What is the InChIKey of N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is NLUKIAZESIIUHO-QEQACUKCSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-13(2,3)11(23)20-10-4-8(5-18-21-10)6-22-7-9(14(15,16)17)19-12(22)24/h4-5,9H,6-7H2,1-3H3,(H,19,24)(H,20,21,23)/t9-/m0/s1/i5D.
What are the key properties of N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 346.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-deuterio-5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 177311087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).