N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

C16H15F3N6O2 — CID 59437528

IUPACN-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)cc(NCCCO)n2n1)c1cccnc1
InChIInChI=1S/C16H15F3N6O2/c17-16(18,19)11-7-12(21-5-2-6-26)25-13(8-11)22-15(24-25)23-14(27)10-3-1-4-20-9-10/h1,3-4,7-9,21,26H,2,5-6H2,(H,23,24,27)
InChIKeySPPCIFKCMMXPEE-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.19
Rot. Bonds6

About N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 59437528) has the molecular formula C16H15F3N6O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID59437528
Molecular FormulaC16H15F3N6O2
Molecular Weight380.33 g/mol
Exact Mass380.12
IUPAC NameN-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)cc(NCCCO)n2n1)c1cccnc1
InChIInChI=1S/C16H15F3N6O2/c17-16(18,19)11-7-12(21-5-2-6-26)25-13(8-11)22-15(24-25)23-14(27)10-3-1-4-20-9-10/h1,3-4,7-9,21,26H,2,5-6H2,(H,23,24,27)
InChIKeySPPCIFKCMMXPEE-UHFFFAOYSA-N
XLogP2.19
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (CID 59437528) is N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is O=C(Nc1nc2cc(C(F)(F)F)cc(NCCCO)n2n1)c1cccnc1.
What is the InChIKey of N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is SPPCIFKCMMXPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2/c17-16(18,19)11-7-12(21-5-2-6-26)25-13(8-11)22-15(24-25)23-14(27)10-3-1-4-20-9-10/h1,3-4,7-9,21,26H,2,5-6H2,(H,23,24,27).
What are the key properties of N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59437528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).