N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C16H15F4N5O — CID 11639257

IUPACN-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H15F4N5O/c17-11-3-4-13(22-10-11)23-15(26)25-8-6-24(7-9-25)14-12(16(18,19)20)2-1-5-21-14/h1-5,10H,6-9H2,(H,22,23,26)
InChIKeyCWJABQQWHCAALA-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.99
Rot. Bonds2

About N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 11639257) has the molecular formula C16H15F4N5O and a molecular weight of 369.32 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID11639257
Molecular FormulaC16H15F4N5O
Molecular Weight369.32 g/mol
Exact Mass369.12
IUPAC NameN-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H15F4N5O/c17-11-3-4-13(22-10-11)23-15(26)25-8-6-24(7-9-25)14-12(16(18,19)20)2-1-5-21-14/h1-5,10H,6-9H2,(H,22,23,26)
InChIKeyCWJABQQWHCAALA-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dichloro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11539011
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
2-(4-fluorophenoxy)-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78898955
2-methyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 2781743
4-oxo-4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butanoic acid
CID 2741588
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-(5-fluoro-2-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 99596550
N-[1-(4-cyanophenyl)-3,3-dimethyl-1-oxobutan-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 87056493
(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 172899991
N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide
CID 162580609
4-(2-oxo-1H-pyrazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 72907505
(6S,7S)-N-hydroxy-5-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234429

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 11639257) is N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1ccc(F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is CWJABQQWHCAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N5O/c17-11-3-4-13(22-10-11)23-15(26)25-8-6-24(7-9-25)14-12(16(18,19)20)2-1-5-21-14/h1-5,10H,6-9H2,(H,22,23,26).
What are the key properties of N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 11639257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).