1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide

C12H15F3N4O — CID 106747103

IUPAC1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(C(F)(F)F)ncc2N)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)10-4-9(8(16)5-18-10)19-3-1-2-7(6-19)11(17)20/h4-5,7H,1-3,6,16H2,(H2,17,20)
InChIKeyTXXJLNPRAHJYHV-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.38
Rot. Bonds2

About 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide

1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide (PubChem CID 106747103) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
PubChem CID106747103
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(C(F)(F)F)ncc2N)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)10-4-9(8(16)5-18-10)19-3-1-2-7(6-19)11(17)20/h4-5,7H,1-3,6,16H2,(H2,17,20)
InChIKeyTXXJLNPRAHJYHV-UHFFFAOYSA-N
XLogP1.38
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106748167
2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide
CID 106747519
4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747692
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
CID 66077177
4-(2-cyclopentylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747600
1-(5-aminopyrimidin-4-yl)piperidine-3-carboxamide
CID 79910682
1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
CID 65341597
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide (CID 106747103) is 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2cc(C(F)(F)F)ncc2N)C1.
What is the InChIKey of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide?
The InChIKey is TXXJLNPRAHJYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)10-4-9(8(16)5-18-10)19-3-1-2-7(6-19)11(17)20/h4-5,7H,1-3,6,16H2,(H2,17,20).
What are the key properties of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide?
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 106747103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).