3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C18H14F4N4O3 — CID 154891991

IUPAC3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1ccccc1-n1ccnc1)c1ccncc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H13FN4O.C2HF3O2/c17-14-10-18-6-5-13(14)16(22)20-9-12-3-1-2-4-15(12)21-8-7-19-11-21;3-2(4,5)1(6)7/h1-8,10-11H,9H2,(H,20,22);(H,6,7)
InChIKeyBEWYHEDPZFLOAY-UHFFFAOYSA-N
MW410.33 g/mol
LogP2.97
Rot. Bonds4

About 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154891991) has the molecular formula C18H14F4N4O3 and a molecular weight of 410.33 g/mol. Its IUPAC name is 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154891991
Molecular FormulaC18H14F4N4O3
Molecular Weight410.33 g/mol
Exact Mass410.10
IUPAC Name3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1ccccc1-n1ccnc1)c1ccncc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H13FN4O.C2HF3O2/c17-14-10-18-6-5-13(14)16(22)20-9-12-3-1-2-4-15(12)21-8-7-19-11-21;3-2(4,5)1(6)7/h1-8,10-11H,9H2,(H,20,22);(H,6,7)
InChIKeyBEWYHEDPZFLOAY-UHFFFAOYSA-N
XLogP2.97
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 64949510
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CID 92680055
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
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N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 136578908
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide
CID 157017292
2-[(2-chlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30388148
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 97186840
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92686269
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
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2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 154891991) is 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCc1ccccc1-n1ccnc1)c1ccncc1F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BEWYHEDPZFLOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O.C2HF3O2/c17-14-10-18-6-5-13(14)16(22)20-9-12-3-1-2-4-15(12)21-8-7-19-11-21;3-2(4,5)1(6)7/h1-8,10-11H,9H2,(H,20,22);(H,6,7).
What are the key properties of 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 410.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154891991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).