N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide

C20H22BrF3N4O — CID 141343016

IUPACN-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C20H22BrF3N4O/c1-13-18(21)10-16(11-25-13)26-19(29)14-3-4-15(17(9-14)20(22,23)24)12-28-7-5-27(2)6-8-28/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,29)
InChIKeyFZQKHWHEWLPPST-UHFFFAOYSA-N
MW471.32 g/mol
LogP4.17
Rot. Bonds4

About N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide

N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 141343016) has the molecular formula C20H22BrF3N4O and a molecular weight of 471.32 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID141343016
Molecular FormulaC20H22BrF3N4O
Molecular Weight471.32 g/mol
Exact Mass470.09
IUPAC NameN-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C20H22BrF3N4O/c1-13-18(21)10-16(11-25-13)26-19(29)14-3-4-15(17(9-14)20(22,23)24)12-28-7-5-27(2)6-8-28/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,29)
InChIKeyFZQKHWHEWLPPST-UHFFFAOYSA-N
XLogP4.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pentyl-N-pyridin-3-yl-benzamide
CID 2796370
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
N-(2-aminophenyl)-4-(3-fluoro-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
CID 11590444
N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11633344
n-(2-Aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-fluoropyridin-2-yl}benzamide
CID 11683474
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
CID 146909371
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide
CID 49797851
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
4-bromo-N-(pyridin-3-yl)benzamide
CID 603115
4-octyl-N-pyridin-3-ylbenzamide
CID 44450380
4-decyl-N-pyridin-3-ylbenzamide
CID 44450381
N-[4-(N-[2-[2,4-bis(trifluoromethyl)phenyl]acetyl]anilino)but-2-ynyl]pyridine-2-carboxamide
CID 168296749

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide (CID 141343016) is N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FZQKHWHEWLPPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrF3N4O/c1-13-18(21)10-16(11-25-13)26-19(29)14-3-4-15(17(9-14)20(22,23)24)12-28-7-5-27(2)6-8-28/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,29).
What are the key properties of N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 471.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-3-pyridinyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 141343016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).