N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C24H26FN3OS — CID 46044834

IUPACN-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(Cc3cccs3)CC2)n1
InChIInChI=1S/C24H26FN3OS/c1-17-4-9-22(24(29)26-15-18-5-7-20(25)8-6-18)23(27-17)19-10-12-28(13-11-19)16-21-3-2-14-30-21/h2-9,14,19H,10-13,15-16H2,1H3,(H,26,29)
InChIKeyFSIQSSIPIYFNOU-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.90
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46044834) has the molecular formula C24H26FN3OS and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID46044834
Molecular FormulaC24H26FN3OS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(Cc3cccs3)CC2)n1
InChIInChI=1S/C24H26FN3OS/c1-17-4-9-22(24(29)26-15-18-5-7-20(25)8-6-18)23(27-17)19-10-12-28(13-11-19)16-21-3-2-14-30-21/h2-9,14,19H,10-13,15-16H2,1H3,(H,26,29)
InChIKeyFSIQSSIPIYFNOU-UHFFFAOYSA-N
XLogP4.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068699
N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044896
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42852242
N-[(3-fluorophenyl)methyl]-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867550
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46069178
2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068698
6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 74225797

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 46044834) is N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(Cc3cccs3)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FSIQSSIPIYFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3OS/c1-17-4-9-22(24(29)26-15-18-5-7-20(25)8-6-18)23(27-17)19-10-12-28(13-11-19)16-21-3-2-14-30-21/h2-9,14,19H,10-13,15-16H2,1H3,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46044834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).