3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide

C23H22F3N5O — CID 2741692

IUPAC3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc2)c1
InChIInChI=1S/C23H22F3N5O/c1-16-3-2-4-17(13-16)22(32)29-19-6-8-21(28-15-19)31-11-9-30(10-12-31)20-7-5-18(14-27-20)23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,29,32)
InChIKeyLJGALZMJLOFEOQ-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.38
Rot. Bonds4

About 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide

3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 2741692) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID2741692
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc2)c1
InChIInChI=1S/C23H22F3N5O/c1-16-3-2-4-17(13-16)22(32)29-19-6-8-21(28-15-19)31-11-9-30(10-12-31)20-7-5-18(14-27-20)23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,29,32)
InChIKeyLJGALZMJLOFEOQ-UHFFFAOYSA-N
XLogP4.38
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Netupitant
CID 6451149
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Flumatinib
CID 46848036
Pirenzepine Hydrochloride
CID 71405
Darovasertib
CID 118873253
Wnt-974
CID 46926973
BPKDi
CID 46901383
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
AQ-RA 741
CID 129989
N-(5-amino-2-pyridinyl)-4-trifluoromethylbenzamide
CID 24752865

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide (CID 2741692) is 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide is Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc2)c1.
What is the InChIKey of 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is LJGALZMJLOFEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c1-16-3-2-4-17(13-16)22(32)29-19-6-8-21(28-15-19)31-11-9-30(10-12-31)20-7-5-18(14-27-20)23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,29,32).
What are the key properties of 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide?
3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 441.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 2741692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).