N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H21F3N6O — CID 39541337

IUPACN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H21F3N6O/c19-18(20,21)15-4-3-14(13-25-15)16(28)22-7-2-8-26-9-11-27(12-10-26)17-23-5-1-6-24-17/h1,3-6,13H,2,7-12H2,(H,22,28)
InChIKeyIQPFBGHQRMWZEH-UHFFFAOYSA-N
MW394.40 g/mol
LogP1.83
Rot. Bonds6

About N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 39541337) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID39541337
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H21F3N6O/c19-18(20,21)15-4-3-14(13-25-15)16(28)22-7-2-8-26-9-11-27(12-10-26)17-23-5-1-6-24-17/h1,3-6,13H,2,7-12H2,(H,22,28)
InChIKeyIQPFBGHQRMWZEH-UHFFFAOYSA-N
XLogP1.83
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)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

N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 141363458
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 119901319
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539519
3-(methoxymethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39540479
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide
CID 39541539
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 75399276

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 39541337) is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IQPFBGHQRMWZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c19-18(20,21)15-4-3-14(13-25-15)16(28)22-7-2-8-26-9-11-27(12-10-26)17-23-5-1-6-24-17/h1,3-6,13H,2,7-12H2,(H,22,28).
What are the key properties of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 39541337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).