N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

C27H28F3N5O2 — CID 90655275

IUPACN-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C27H28F3N5O2/c1-18-5-6-19(14-24(18)33-26(37)20-4-3-9-31-16-20)25(36)32-22-8-7-21(23(15-22)27(28,29)30)17-35-12-10-34(2)11-13-35/h3-9,14-16H,10-13,17H2,1-2H3,(H,32,36)(H,33,37)
InChIKeyVXEZGARHOOQROF-UHFFFAOYSA-N
MW511.55 g/mol
LogP4.66
Rot. Bonds6

About N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 90655275) has the molecular formula C27H28F3N5O2 and a molecular weight of 511.55 g/mol. Its IUPAC name is N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID90655275
Molecular FormulaC27H28F3N5O2
Molecular Weight511.55 g/mol
Exact Mass511.22
IUPAC NameN-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C27H28F3N5O2/c1-18-5-6-19(14-24(18)33-26(37)20-4-3-9-31-16-20)25(36)32-22-8-7-21(23(15-22)27(28,29)30)17-35-12-10-34(2)11-13-35/h3-9,14-16H,10-13,17H2,1-2H3,(H,32,36)(H,33,37)
InChIKeyVXEZGARHOOQROF-UHFFFAOYSA-N
XLogP4.66
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.55
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide 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

2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748022
5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide
CID 24875320
9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748020
2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748525
9-oxo-N-[2-(pyridin-4-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748637
N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 44520886
2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide
CID 6398883
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
XR-9577
CID 15950351
2-fluoro-N-[2-(6-methylpyridin-3-yl)propan-2-yl]-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748144

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 90655275) is N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VXEZGARHOOQROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O2/c1-18-5-6-19(14-24(18)33-26(37)20-4-3-9-31-16-20)25(36)32-22-8-7-21(23(15-22)27(28,29)30)17-35-12-10-34(2)11-13-35/h3-9,14-16H,10-13,17H2,1-2H3,(H,32,36)(H,33,37).
What are the key properties of N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 90655275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).