5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C17H26FN5O — CID 136582085

IUPAC5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN1CCC[C@@H](CNC(=O)N2CCC=C(F)C2)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H26FN5O/c1-21-9-3-5-13(16(21)15-7-8-20-22(15)2)11-19-17(24)23-10-4-6-14(18)12-23/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,19,24)/t13-,16+/m0/s1
InChIKeyOXCBHIQCIRUTGX-XJKSGUPXSA-N
MW335.43 g/mol
LogP2.07
Rot. Bonds3

About 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide

5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 136582085) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID136582085
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN1CCC[C@@H](CNC(=O)N2CCC=C(F)C2)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H26FN5O/c1-21-9-3-5-13(16(21)15-7-8-20-22(15)2)11-19-17(24)23-10-4-6-14(18)12-23/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,19,24)/t13-,16+/m0/s1
InChIKeyOXCBHIQCIRUTGX-XJKSGUPXSA-N
XLogP2.07
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518732
N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155527416
N-[2-[3-(3-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529255
N-[2-[3-(2-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155537511
N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155545623
N-[2-[3-(2,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155552451
N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155567758
1,1-Diethyl-3-[2-(3-phenylpyrazol-1-yl)ethyl]urea
CID 155521177
N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155538633

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 136582085) is 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CN1CCC[C@@H](CNC(=O)N2CCC=C(F)C2)[C@@H]1c1ccnn1C.
What is the InChIKey of 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is OXCBHIQCIRUTGX-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-21-9-3-5-13(16(21)15-7-8-20-22(15)2)11-19-17(24)23-10-4-6-14(18)12-23/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,19,24)/t13-,16+/m0/s1.
What are the key properties of 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 136582085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).