N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C14H15F3N4O2 — CID 44775763

IUPACN-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)9-23-13-11(3-1-4-20-13)12(22)19-5-2-7-21-8-6-18-10-21/h1,3-4,6,8,10H,2,5,7,9H2,(H,19,22)
InChIKeyFROPYSCWWVDQAN-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.04
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 44775763) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID44775763
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)9-23-13-11(3-1-4-20-13)12(22)19-5-2-7-21-8-6-18-10-21/h1,3-4,6,8,10H,2,5,7,9H2,(H,19,22)
InChIKeyFROPYSCWWVDQAN-UHFFFAOYSA-N
XLogP2.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 44775763) is N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCCCn1ccnc1)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is FROPYSCWWVDQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)9-23-13-11(3-1-4-20-13)12(22)19-5-2-7-21-8-6-18-10-21/h1,3-4,6,8,10H,2,5,7,9H2,(H,19,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 44775763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).