N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C18H19F3N4O — CID 55788275

IUPACN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccncc3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H19F3N4O/c1-24-8-10-25(11-9-24)14-2-3-16(15(12-14)18(19,20)21)23-17(26)13-4-6-22-7-5-13/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyICYRFIOBYJRTEQ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.10
Rot. Bonds3

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

N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 55788275) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID55788275
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccncc3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H19F3N4O/c1-24-8-10-25(11-9-24)14-2-3-16(15(12-14)18(19,20)21)23-17(26)13-4-6-22-7-5-13/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyICYRFIOBYJRTEQ-UHFFFAOYSA-N
XLogP3.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55787869
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788437
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
CID 55880920
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
2-chloro-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-5-methylsulfanylbenzamide
CID 55787776
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788209
4-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide
CID 155689087
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
CID 55788373
5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 55788114
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253975
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 17462810

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 55788275) is N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccncc3)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is ICYRFIOBYJRTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-24-8-10-25(11-9-24)14-2-3-16(15(12-14)18(19,20)21)23-17(26)13-4-6-22-7-5-13/h2-7,12H,8-11H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55788275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).