N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C25H25F3N4O2 — CID 155464382

IUPACN-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25F3N4O2/c1-31-13-15-32(16-14-31)19-9-7-18(8-10-19)22(17-5-3-2-4-6-17)30-24(34)20-11-12-21(25(26,27)28)29-23(20)33/h2-12,22H,13-16H2,1H3,(H,29,33)(H,30,34)
InChIKeyXQEBONDLVJPRHV-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.66
Rot. Bonds5

About N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464382) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464382
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25F3N4O2/c1-31-13-15-32(16-14-31)19-9-7-18(8-10-19)22(17-5-3-2-4-6-17)30-24(34)20-11-12-21(25(26,27)28)29-23(20)33/h2-12,22H,13-16H2,1H3,(H,29,33)(H,30,34)
InChIKeyXQEBONDLVJPRHV-UHFFFAOYSA-N
XLogP3.66
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464382) is N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN1CCN(c2ccc(C(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XQEBONDLVJPRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-31-13-15-32(16-14-31)19-9-7-18(8-10-19)22(17-5-3-2-4-6-17)30-24(34)20-11-12-21(25(26,27)28)29-23(20)33/h2-12,22H,13-16H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).