1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide

C19H18ClF3N6O — CID 17421136

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1nnc2ccccn12)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H18ClF3N6O/c20-14-9-13(19(21,22)23)10-24-17(14)28-7-4-12(5-8-28)18(30)25-11-16-27-26-15-3-1-2-6-29(15)16/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,25,30)
InChIKeyKWPMFNUEAWCLFD-UHFFFAOYSA-N
MW438.84 g/mol
LogP3.33
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 17421136) has the molecular formula C19H18ClF3N6O and a molecular weight of 438.84 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID17421136
Molecular FormulaC19H18ClF3N6O
Molecular Weight438.84 g/mol
Exact Mass438.12
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1nnc2ccccn12)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H18ClF3N6O/c20-14-9-13(19(21,22)23)10-24-17(14)28-7-4-12(5-8-28)18(30)25-11-16-27-26-15-3-1-2-6-29(15)16/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,25,30)
InChIKeyKWPMFNUEAWCLFD-UHFFFAOYSA-N
XLogP3.33
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 17421136) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1nnc2ccccn12)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KWPMFNUEAWCLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N6O/c20-14-9-13(19(21,22)23)10-24-17(14)28-7-4-12(5-8-28)18(30)25-11-16-27-26-15-3-1-2-6-29(15)16/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,25,30).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 438.84 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 17421136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).