6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide

C16H19F3N6O — CID 120811031

IUPAC6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)13(24-6-3-20-4-7-24)10-23-15(26)12-1-2-14(22-9-12)25-8-5-21-11-25/h1-2,5,8-9,11,13,20H,3-4,6-7,10H2,(H,23,26)
InChIKeyGEDXQVRICPEATE-UHFFFAOYSA-N
MW368.36 g/mol
LogP0.83
Rot. Bonds5

About 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide

6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 120811031) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID120811031
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)13(24-6-3-20-4-7-24)10-23-15(26)12-1-2-14(22-9-12)25-8-5-21-11-25/h1-2,5,8-9,11,13,20H,3-4,6-7,10H2,(H,23,26)
InChIKeyGEDXQVRICPEATE-UHFFFAOYSA-N
XLogP0.83
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 120813656
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
6-imidazol-1-yl-N-[(2S)-2-morpholin-4-ylpropyl]pyridine-3-carboxamide
CID 129367054
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860
6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 120812673
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
4-nitro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813479
3-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 120811822
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 111444790

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide (CID 120811031) is 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is GEDXQVRICPEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c17-16(18,19)13(24-6-3-20-4-7-24)10-23-15(26)12-1-2-14(22-9-12)25-8-5-21-11-25/h1-2,5,8-9,11,13,20H,3-4,6-7,10H2,(H,23,26).
What are the key properties of 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?
6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 120811031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).