N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide

C19H21F3N4OS — CID 55742686

IUPACN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCN1CCN(c2cc(CNC(=O)c3ccc(SC(F)(F)F)cc3)ccn2)CC1
InChIInChI=1S/C19H21F3N4OS/c1-25-8-10-26(11-9-25)17-12-14(6-7-23-17)13-24-18(27)15-2-4-16(5-3-15)28-19(20,21)22/h2-7,12H,8-11,13H2,1H3,(H,24,27)
InChIKeyLEJBKADCEOJIEW-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.38
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 55742686) has the molecular formula C19H21F3N4OS and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID55742686
Molecular FormulaC19H21F3N4OS
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCN1CCN(c2cc(CNC(=O)c3ccc(SC(F)(F)F)cc3)ccn2)CC1
InChIInChI=1S/C19H21F3N4OS/c1-25-8-10-26(11-9-25)17-12-14(6-7-23-17)13-24-18(27)15-2-4-16(5-3-15)28-19(20,21)22/h2-7,12H,8-11,13H2,1H3,(H,24,27)
InChIKeyLEJBKADCEOJIEW-UHFFFAOYSA-N
XLogP3.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 47065929
1-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 131960881
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 55819071
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 126769214
4-(methylamino)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-nitrobenzamide
CID 47050214
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 55742565
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide (CID 55742686) is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide is CN1CCN(c2cc(CNC(=O)c3ccc(SC(F)(F)F)cc3)ccn2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is LEJBKADCEOJIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4OS/c1-25-8-10-26(11-9-25)17-12-14(6-7-23-17)13-24-18(27)15-2-4-16(5-3-15)28-19(20,21)22/h2-7,12H,8-11,13H2,1H3,(H,24,27).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55742686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).