trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide

C13H14F4N4O2 — CID 38708899

IUPACtrans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCCC(=O)NNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H14F4N4O2/c1-5-4-6(5)13(23)18-3-2-7(22)20-21-10-8(14)11(16)19-12(17)9(10)15/h5-6H,2-4H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t5-,6-/m1/s1
InChIKeyFFNXQPWPDCBDSB-PHDIDXHHSA-N
MW334.27 g/mol
LogP1.24
Rot. Bonds6

About trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide (PubChem CID 38708899) has the molecular formula C13H14F4N4O2 and a molecular weight of 334.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
PubChem CID38708899
Molecular FormulaC13H14F4N4O2
Molecular Weight334.27 g/mol
Exact Mass334.11
IUPAC Nametrans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCCC(=O)NNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H14F4N4O2/c1-5-4-6(5)13(23)18-3-2-7(22)20-21-10-8(14)11(16)19-12(17)9(10)15/h5-6H,2-4H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t5-,6-/m1/s1
InChIKeyFFNXQPWPDCBDSB-PHDIDXHHSA-N
XLogP1.24
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide (CID 38708899) is trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NCCC(=O)NNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide?
The InChIKey is FFNXQPWPDCBDSB-PHDIDXHHSA-N. The full InChI is InChI=1S/C13H14F4N4O2/c1-5-4-6(5)13(23)18-3-2-7(22)20-21-10-8(14)11(16)19-12(17)9(10)15/h5-6H,2-4H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide has a molecular weight of 334.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 38708899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).