6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride

C14H20ClF3N4O2 — CID 120812842

IUPAC6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1cc(=O)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c[nH]1.Cl
InChIInChI=1S/C14H19F3N4O2.ClH/c1-9-6-11(22)10(7-19-9)13(23)20-8-12(14(15,16)17)21-4-2-18-3-5-21;/h6-7,12,18H,2-5,8H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyDUPVVTCQFREKGF-UHFFFAOYSA-N
MW368.79 g/mol
LogP0.67
Rot. Bonds4

About 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride

6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 120812842) has the molecular formula C14H20ClF3N4O2 and a molecular weight of 368.79 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID120812842
Molecular FormulaC14H20ClF3N4O2
Molecular Weight368.79 g/mol
Exact Mass368.12
IUPAC Name6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1cc(=O)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c[nH]1.Cl
InChIInChI=1S/C14H19F3N4O2.ClH/c1-9-6-11(22)10(7-19-9)13(23)20-8-12(14(15,16)17)21-4-2-18-3-5-21;/h6-7,12,18H,2-5,8H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyDUPVVTCQFREKGF-UHFFFAOYSA-N
XLogP0.67
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 120812842) is 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride is Cc1cc(=O)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c[nH]1.Cl.
What is the InChIKey of 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is DUPVVTCQFREKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2.ClH/c1-9-6-11(22)10(7-19-9)13(23)20-8-12(14(15,16)17)21-4-2-18-3-5-21;/h6-7,12,18H,2-5,8H2,1H3,(H,19,22)(H,20,23);1H.
What are the key properties of 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 368.79 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120812842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).