N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide

C12H16F2N4O2 — CID 146323244

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)C1NCCCN1
InChIInChI=1S/C12H16F2N4O2/c13-2-5-18-7-8(6-9(14)12(18)20)17-11(19)10-15-3-1-4-16-10/h6-7,10,15-16H,1-5H2,(H,17,19)
InChIKeySNURAINXVMHEDC-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.20
Rot. Bonds4

About N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide (PubChem CID 146323244) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide
PubChem CID146323244
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)C1NCCCN1
InChIInChI=1S/C12H16F2N4O2/c13-2-5-18-7-8(6-9(14)12(18)20)17-11(19)10-15-3-1-4-16-10/h6-7,10,15-16H,1-5H2,(H,17,19)
InChIKeySNURAINXVMHEDC-UHFFFAOYSA-N
XLogP-0.20
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide (CID 146323244) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)C1NCCCN1.
What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide?
The InChIKey is SNURAINXVMHEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2/c13-2-5-18-7-8(6-9(14)12(18)20)17-11(19)10-15-3-1-4-16-10/h6-7,10,15-16H,1-5H2,(H,17,19).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide has a molecular weight of 286.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide is sourced from PubChem (CID 146323244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).