5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C12H17FN2O — CID 164638234

IUPAC5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC[C@H]1CC12CC2)N1CCC=C(F)C1
InChIInChI=1S/C12H17FN2O/c13-10-2-1-5-15(8-10)11(16)14-7-9-6-12(9)3-4-12/h2,9H,1,3-8H2,(H,14,16)/t9-/m1/s1
InChIKeyZMANKVURUDPNKF-SECBINFHSA-N
MW224.28 g/mol
LogP2.06
Rot. Bonds2

About 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide

5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 164638234) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID164638234
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC[C@H]1CC12CC2)N1CCC=C(F)C1
InChIInChI=1S/C12H17FN2O/c13-10-2-1-5-15(8-10)11(16)14-7-9-6-12(9)3-4-12/h2,9H,1,3-8H2,(H,14,16)/t9-/m1/s1
InChIKeyZMANKVURUDPNKF-SECBINFHSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 164638234) is 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NC[C@H]1CC12CC2)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ZMANKVURUDPNKF-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-2-1-5-15(8-10)11(16)14-7-9-6-12(9)3-4-12/h2,9H,1,3-8H2,(H,14,16)/t9-/m1/s1.
What are the key properties of 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[(2S)-spiro[2.2]pentan-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 164638234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).