N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide

C18H20FN3O — CID 86785909

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(F)c(N2CCC(NC(=O)c3ccccn3)CC2)c1
InChIInChI=1S/C18H20FN3O/c1-13-5-6-15(19)17(12-13)22-10-7-14(8-11-22)21-18(23)16-4-2-3-9-20-16/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,23)
InChIKeyHZLODRVNCKONSE-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.93
Rot. Bonds3

About N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 86785909) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID86785909
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(F)c(N2CCC(NC(=O)c3ccccn3)CC2)c1
InChIInChI=1S/C18H20FN3O/c1-13-5-6-15(19)17(12-13)22-10-7-14(8-11-22)21-18(23)16-4-2-3-9-20-16/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,23)
InChIKeyHZLODRVNCKONSE-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
methyl 1-[[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylate
CID 99580708
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 53171324
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide (CID 86785909) is N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide is Cc1ccc(F)c(N2CCC(NC(=O)c3ccccn3)CC2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is HZLODRVNCKONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-13-5-6-15(19)17(12-13)22-10-7-14(8-11-22)21-18(23)16-4-2-3-9-20-16/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 86785909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).