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

C13H17F3N4O2 — CID 120812673

IUPAC6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)10(20-5-3-17-4-6-20)8-19-12(22)9-1-2-11(21)18-7-9/h1-2,7,10,17H,3-6,8H2,(H,18,21)(H,19,22)
InChIKeyMQACDGWVZFPRBG-UHFFFAOYSA-N
MW318.30 g/mol
LogP-0.06
Rot. Bonds4

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

6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide (PubChem CID 120812673) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
PubChem CID120812673
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)10(20-5-3-17-4-6-20)8-19-12(22)9-1-2-11(21)18-7-9/h1-2,7,10,17H,3-6,8H2,(H,18,21)(H,19,22)
InChIKeyMQACDGWVZFPRBG-UHFFFAOYSA-N
XLogP-0.06
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
4-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813148
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
2-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-2,4-dicarboxamide;hydrochloride
CID 120812304
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811165
4-(difluoromethylsulfanyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812560
4-(trifluoromethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811723
2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 120813656
4-nitro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813479
3-fluoro-4-pyrrolidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 120812266

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide (CID 120812673) is 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The InChIKey is MQACDGWVZFPRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c14-13(15,16)10(20-5-3-17-4-6-20)8-19-12(22)9-1-2-11(21)18-7-9/h1-2,7,10,17H,3-6,8H2,(H,18,21)(H,19,22).
What are the key properties of 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 120812673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).