6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C25H30FN3O3 — CID 92637019

IUPAC6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C25H30FN3O3/c26-21-7-3-18(4-8-21)5-10-24(30)29-13-11-19(12-14-29)23-9-6-20(16-27-23)25(31)28-17-22-2-1-15-32-22/h3-4,6-9,16,19,22H,1-2,5,10-15,17H2,(H,28,31)/t22-/m0/s1
InChIKeyXMYNLFLKSMRBHB-QFIPXVFZSA-N
MW439.53 g/mol
LogP3.47
Rot. Bonds7

About 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 92637019) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID92637019
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C25H30FN3O3/c26-21-7-3-18(4-8-21)5-10-24(30)29-13-11-19(12-14-29)23-9-6-20(16-27-23)25(31)28-17-22-2-1-15-32-22/h3-4,6-9,16,19,22H,1-2,5,10-15,17H2,(H,28,31)/t22-/m0/s1
InChIKeyXMYNLFLKSMRBHB-QFIPXVFZSA-N
XLogP3.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
6-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110264404
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740126
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740839
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
6-[(4-fluorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382821
6-[(4-fluorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382822
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 92637019) is 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is XMYNLFLKSMRBHB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30FN3O3/c26-21-7-3-18(4-8-21)5-10-24(30)29-13-11-19(12-14-29)23-9-6-20(16-27-23)25(31)28-17-22-2-1-15-32-22/h3-4,6-9,16,19,22H,1-2,5,10-15,17H2,(H,28,31)/t22-/m0/s1.
What are the key properties of 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 92637019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).