(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide

C12H14F4N4O3 — CID 95322424

IUPAC(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide
SMILESC[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)NC(N)=O
InChIInChI=1S/C12H14F4N4O3/c1-6(9(21)20-11(17)22)19-7-2-3-8(18-4-7)23-5-12(15,16)10(13)14/h2-4,6,10,19H,5H2,1H3,(H3,17,20,21,22)/t6-/m1/s1
InChIKeyHWLIIDIYTYPIFU-ZCFIWIBFSA-N
MW338.26 g/mol
LogP1.36
Rot. Bonds7

About (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide

(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide (PubChem CID 95322424) has the molecular formula C12H14F4N4O3 and a molecular weight of 338.26 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide
PubChem CID95322424
Molecular FormulaC12H14F4N4O3
Molecular Weight338.26 g/mol
Exact Mass338.10
IUPAC Name(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide
SMILESC[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)NC(N)=O
InChIInChI=1S/C12H14F4N4O3/c1-6(9(21)20-11(17)22)19-7-2-3-8(18-4-7)23-5-12(15,16)10(13)14/h2-4,6,10,19H,5H2,1H3,(H3,17,20,21,22)/t6-/m1/s1
InChIKeyHWLIIDIYTYPIFU-ZCFIWIBFSA-N
XLogP1.36
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide (CID 95322424) is (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide is C[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide?
The InChIKey is HWLIIDIYTYPIFU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H14F4N4O3/c1-6(9(21)20-11(17)22)19-7-2-3-8(18-4-7)23-5-12(15,16)10(13)14/h2-4,6,10,19H,5H2,1H3,(H3,17,20,21,22)/t6-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide?
(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 338.26 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 95322424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).