N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C29H31F3N4O5 — CID 167908530

IUPACN-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc(-c4ccccc4)c(C)[nH]c3=O)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H30N4O3.C2HF3O2/c1-18-24(21-6-4-3-5-7-21)16-25(26(33)28-18)27(34)30-23-12-14-31(15-13-23)17-20-8-10-22(11-9-20)29-19(2)32;3-2(4,5)1(6)7/h3-11,16,23H,12-15,17H2,1-2H3,(H,28,33)(H,29,32)(H,30,34);(H,6,7)
InChIKeyNYMNTSSNISDYSC-UHFFFAOYSA-N
MW572.58 g/mol
LogP4.34
Rot. Bonds6

About N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167908530) has the molecular formula C29H31F3N4O5 and a molecular weight of 572.58 g/mol. Its IUPAC name is N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167908530
Molecular FormulaC29H31F3N4O5
Molecular Weight572.58 g/mol
Exact Mass572.22
IUPAC NameN-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc(-c4ccccc4)c(C)[nH]c3=O)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H30N4O3.C2HF3O2/c1-18-24(21-6-4-3-5-7-21)16-25(26(33)28-18)27(34)30-23-12-14-31(15-13-23)17-20-8-10-22(11-9-20)29-19(2)32;3-2(4,5)1(6)7/h3-11,16,23H,12-15,17H2,1-2H3,(H,28,33)(H,29,32)(H,30,34);(H,6,7)
InChIKeyNYMNTSSNISDYSC-UHFFFAOYSA-N
XLogP4.34
TPSA131.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.58
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-oxo-N-(oxolan-3-yl)-5-phenyl-1H-pyridine-3-carboxamide
CID 119033513
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
CID 154225250
3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 155425453
N-[4-[2-[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 110985917
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-[2-[(1-benzylpiperidin-4-yl)amino]ethyl]-2-methylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 25010779
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
CID 75515001
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 167908530) is N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc(-c4ccccc4)c(C)[nH]c3=O)CC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NYMNTSSNISDYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3.C2HF3O2/c1-18-24(21-6-4-3-5-7-21)16-25(26(33)28-18)27(34)30-23-12-14-31(15-13-23)17-20-8-10-22(11-9-20)29-19(2)32;3-2(4,5)1(6)7/h3-11,16,23H,12-15,17H2,1-2H3,(H,28,33)(H,29,32)(H,30,34);(H,6,7).
What are the key properties of N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 572.58 g/mol, XLogP of 4.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167908530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).