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

C16H17F4N5O — CID 162580609

IUPACN-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CCN(C2NC=CC=C2C(F)(F)F)CC1
InChIInChI=1S/C16H17F4N5O/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/h1-5,10,14,21H,6-9H2,(H,22,23,26)
InChIKeyADXKUPKXIPWRRG-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.30
Rot. Bonds2

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

N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide (PubChem CID 162580609) has the molecular formula C16H17F4N5O and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide
PubChem CID162580609
Molecular FormulaC16H17F4N5O
Molecular Weight371.34 g/mol
Exact Mass371.14
IUPAC NameN-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CCN(C2NC=CC=C2C(F)(F)F)CC1
InChIInChI=1S/C16H17F4N5O/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/h1-5,10,14,21H,6-9H2,(H,22,23,26)
InChIKeyADXKUPKXIPWRRG-UHFFFAOYSA-N
XLogP2.30
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11639257
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4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
N-(5-fluoro-2-pyridinyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 86800063
(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 99598686
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 155632677
N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 71242623
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 151857612
(9aS)-N-(5-bromo-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97352884

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide (CID 162580609) is N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide is O=C(Nc1ccc(F)cn1)N1CCN(C2NC=CC=C2C(F)(F)F)CC1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide?
The InChIKey is ADXKUPKXIPWRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N5O/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/h1-5,10,14,21H,6-9H2,(H,22,23,26).
What are the key properties of N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide?
N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 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)-1,2-dihydropyridin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 162580609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).