5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C10H16F2N2O — CID 164636759

IUPAC5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC[C@H](F)CCNC(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H16F2N2O/c1-8(11)4-5-13-10(15)14-6-2-3-9(12)7-14/h3,8H,2,4-7H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyHVJDHACVRWETLF-QMMMGPOBSA-N
MW218.25 g/mol
LogP2.00
Rot. Bonds3

About 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide

5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 164636759) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID164636759
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC[C@H](F)CCNC(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H16F2N2O/c1-8(11)4-5-13-10(15)14-6-2-3-9(12)7-14/h3,8H,2,4-7H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyHVJDHACVRWETLF-QMMMGPOBSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 164636759) is 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide is C[C@H](F)CCNC(=O)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HVJDHACVRWETLF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-8(11)4-5-13-10(15)14-6-2-3-9(12)7-14/h3,8H,2,4-7H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 164636759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).