3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C20H22F3N3O3 — CID 90343446

IUPAC3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)c3ccn(CC(F)(F)F)c(=O)c3O)CC2)c1
InChIInChI=1S/C20H22F3N3O3/c1-13-3-2-4-15(11-13)25-8-5-14(6-9-25)24-18(28)16-7-10-26(12-20(21,22)23)19(29)17(16)27/h2-4,7,10-11,14,27H,5-6,8-9,12H2,1H3,(H,24,28)
InChIKeyIXCZDCWKLLKIIT-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.82
Rot. Bonds4

About 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 90343446) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID90343446
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)c3ccn(CC(F)(F)F)c(=O)c3O)CC2)c1
InChIInChI=1S/C20H22F3N3O3/c1-13-3-2-4-15(11-13)25-8-5-14(6-9-25)24-18(28)16-7-10-26(12-20(21,22)23)19(29)17(16)27/h2-4,7,10-11,14,27H,5-6,8-9,12H2,1H3,(H,24,28)
InChIKeyIXCZDCWKLLKIIT-UHFFFAOYSA-N
XLogP2.82
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide
CID 118772808
1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea
CID 168974043
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 90342681
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
N-cyclopentyl-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34734655
1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide
CID 95527922
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide
CID 55793014

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 90343446) is 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is Cc1cccc(N2CCC(NC(=O)c3ccn(CC(F)(F)F)c(=O)c3O)CC2)c1.
What is the InChIKey of 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is IXCZDCWKLLKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-13-3-2-4-15(11-13)25-8-5-14(6-9-25)24-18(28)16-7-10-26(12-20(21,22)23)19(29)17(16)27/h2-4,7,10-11,14,27H,5-6,8-9,12H2,1H3,(H,24,28).
What are the key properties of 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 90343446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).