N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C21H23F3N6O3 — CID 155859926

IUPACN,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CCCC(c2nc3ccc(-c4ccncc4)cn3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N6O.C2HF3O2/c1-23(2)19(26)24-11-3-4-16(12-24)18-21-17-6-5-15(13-25(17)22-18)14-7-9-20-10-8-14;3-2(4,5)1(6)7/h5-10,13,16H,3-4,11-12H2,1-2H3;(H,6,7)
InChIKeyZYSOCBITTUEFHE-UHFFFAOYSA-N
MW464.45 g/mol
LogP3.29
Rot. Bonds2

About N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155859926) has the molecular formula C21H23F3N6O3 and a molecular weight of 464.45 g/mol. Its IUPAC name is N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155859926
Molecular FormulaC21H23F3N6O3
Molecular Weight464.45 g/mol
Exact Mass464.18
IUPAC NameN,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CCCC(c2nc3ccc(-c4ccncc4)cn3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N6O.C2HF3O2/c1-23(2)19(26)24-11-3-4-16(12-24)18-21-17-6-5-15(13-25(17)22-18)14-7-9-20-10-8-14;3-2(4,5)1(6)7/h5-10,13,16H,3-4,11-12H2,1-2H3;(H,6,7)
InChIKeyZYSOCBITTUEFHE-UHFFFAOYSA-N
XLogP3.29
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155859926) is N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)N1CCCC(c2nc3ccc(-c4ccncc4)cn3n2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZYSOCBITTUEFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.C2HF3O2/c1-23(2)19(26)24-11-3-4-16(12-24)18-21-17-6-5-15(13-25(17)22-18)14-7-9-20-10-8-14;3-2(4,5)1(6)7/h5-10,13,16H,3-4,11-12H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 464.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155859926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).