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

C23H26FN5O2 — CID 172664100

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H26FN5O2/c1-16-8-10-28(14-17-3-2-9-25-11-17)23(31)21(16)22(30)26-12-18-13-27-29(15-18)20-6-4-19(24)5-7-20/h4-8,10,13,15,17,25H,2-3,9,11-12,14H2,1H3,(H,26,30)
InChIKeyAWMAVFPFXYNTBW-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.41
Rot. Bonds6

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

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172664100) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172664100
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H26FN5O2/c1-16-8-10-28(14-17-3-2-9-25-11-17)23(31)21(16)22(30)26-12-18-13-27-29(15-18)20-6-4-19(24)5-7-20/h4-8,10,13,15,17,25H,2-3,9,11-12,14H2,1H3,(H,26,30)
InChIKeyAWMAVFPFXYNTBW-UHFFFAOYSA-N
XLogP2.41
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
4-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172673386
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172910581
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172670374
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172668125
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658238
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911176

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172664100) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AWMAVFPFXYNTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-16-8-10-28(14-17-3-2-9-25-11-17)23(31)21(16)22(30)26-12-18-13-27-29(15-18)20-6-4-19(24)5-7-20/h4-8,10,13,15,17,25H,2-3,9,11-12,14H2,1H3,(H,26,30).
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172664100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).