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

C14H20ClF3N4O2 — CID 120811896

IUPAC4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1cc(=O)[nH]cc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N4O2.ClH/c1-9-6-12(22)19-7-10(9)13(23)20-8-11(14(15,16)17)21-4-2-18-3-5-21;/h6-7,11,18H,2-5,8H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyHLFPMIVJXDTCMI-UHFFFAOYSA-N
MW368.79 g/mol
LogP0.67
Rot. Bonds4

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

4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 120811896) has the molecular formula C14H20ClF3N4O2 and a molecular weight of 368.79 g/mol. Its IUPAC name is 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID120811896
Molecular FormulaC14H20ClF3N4O2
Molecular Weight368.79 g/mol
Exact Mass368.12
IUPAC Name4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1cc(=O)[nH]cc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N4O2.ClH/c1-9-6-12(22)19-7-10(9)13(23)20-8-11(14(15,16)17)21-4-2-18-3-5-21;/h6-7,11,18H,2-5,8H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyHLFPMIVJXDTCMI-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 120811896) is 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride is Cc1cc(=O)[nH]cc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is HLFPMIVJXDTCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2.ClH/c1-9-6-12(22)19-7-10(9)13(23)20-8-11(14(15,16)17)21-4-2-18-3-5-21;/h6-7,11,18H,2-5,8H2,1H3,(H,19,22)(H,20,23);1H.
What are the key properties of 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
4-methyl-6-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 4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120811896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).