6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide

C22H19F3N6O — CID 58783624

IUPAC6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)N[C@H](CCc2ccccc2)c2nnc3ccc(C(F)(F)F)cn23)cn1
InChIInChI=1S/C22H19F3N6O/c23-22(24,25)16-8-11-19-29-30-20(31(19)13-16)17(9-6-14-4-2-1-3-5-14)28-21(32)15-7-10-18(26)27-12-15/h1-5,7-8,10-13,17H,6,9H2,(H2,26,27)(H,28,32)/t17-/m1/s1
InChIKeyLPKRNRSBKUPUFY-QGZVFWFLSA-N
MW440.43 g/mol
LogP3.83
Rot. Bonds6

About 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide

6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide (PubChem CID 58783624) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide
PubChem CID58783624
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)N[C@H](CCc2ccccc2)c2nnc3ccc(C(F)(F)F)cn23)cn1
InChIInChI=1S/C22H19F3N6O/c23-22(24,25)16-8-11-19-29-30-20(31(19)13-16)17(9-6-14-4-2-1-3-5-14)28-21(32)15-7-10-18(26)27-12-15/h1-5,7-8,10-13,17H,6,9H2,(H2,26,27)(H,28,32)/t17-/m1/s1
InChIKeyLPKRNRSBKUPUFY-QGZVFWFLSA-N
XLogP3.83
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide (CID 58783624) is 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide is Nc1ccc(C(=O)N[C@H](CCc2ccccc2)c2nnc3ccc(C(F)(F)F)cn23)cn1.
What is the InChIKey of 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide?
The InChIKey is LPKRNRSBKUPUFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H19F3N6O/c23-22(24,25)16-8-11-19-29-30-20(31(19)13-16)17(9-6-14-4-2-1-3-5-14)28-21(32)15-7-10-18(26)27-12-15/h1-5,7-8,10-13,17H,6,9H2,(H2,26,27)(H,28,32)/t17-/m1/s1.
What are the key properties of 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide?
6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 58783624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).