N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H11F3N4O — CID 79352720

IUPACN-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H11F3N4O/c14-6-1-7(15)12(16)9(2-6)20-13(21)10-3-8-11(4-17-10)19-5-18-8/h1-2,5,10,17H,3-4H2,(H,18,19)(H,20,21)
InChIKeyWGNKXMKAHNAOPK-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.48
Rot. Bonds2

About N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352720) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79352720
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC NameN-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H11F3N4O/c14-6-1-7(15)12(16)9(2-6)20-13(21)10-3-8-11(4-17-10)19-5-18-8/h1-2,5,10,17H,3-4H2,(H,18,19)(H,20,21)
InChIKeyWGNKXMKAHNAOPK-UHFFFAOYSA-N
XLogP1.48
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352720) is N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(Nc1cc(F)cc(F)c1F)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WGNKXMKAHNAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-6-1-7(15)12(16)9(2-6)20-13(21)10-3-8-11(4-17-10)19-5-18-8/h1-2,5,10,17H,3-4H2,(H,18,19)(H,20,21).
What are the key properties of N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).