N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C20H20BrF3N4O2 — CID 26287807

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Br
InChIInChI=1S/C20H20BrF3N4O2/c21-15-3-1-2-4-16(15)27-18(29)12-26-19(30)13-7-9-28(10-8-13)17-6-5-14(11-25-17)20(22,23)24/h1-6,11,13H,7-10,12H2,(H,26,30)(H,27,29)
InChIKeyMQWNRXZOWQEYTN-UHFFFAOYSA-N
MW485.30 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 26287807) has the molecular formula C20H20BrF3N4O2 and a molecular weight of 485.30 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID26287807
Molecular FormulaC20H20BrF3N4O2
Molecular Weight485.30 g/mol
Exact Mass484.07
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Br
InChIInChI=1S/C20H20BrF3N4O2/c21-15-3-1-2-4-16(15)27-18(29)12-26-19(30)13-7-9-28(10-8-13)17-6-5-14(11-25-17)20(22,23)24/h1-6,11,13H,7-10,12H2,(H,26,30)(H,27,29)
InChIKeyMQWNRXZOWQEYTN-UHFFFAOYSA-N
XLogP3.83
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.30
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 24596265
N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43040213
N-[(2R)-2-pyrrolidin-1-ylpropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 92612338
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 17424947
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 24594373
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46977522
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9227761
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 26287807) is N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is MQWNRXZOWQEYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrF3N4O2/c21-15-3-1-2-4-16(15)27-18(29)12-26-19(30)13-7-9-28(10-8-13)17-6-5-14(11-25-17)20(22,23)24/h1-6,11,13H,7-10,12H2,(H,26,30)(H,27,29).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 485.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 26287807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).