2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide

C11H12FN5O — CID 105387534

IUPAC2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(N)c1F)c1ncc[nH]1
InChIInChI=1S/C11H12FN5O/c1-6(10-15-4-5-16-10)17-11(18)7-2-3-14-9(13)8(7)12/h2-6H,1H3,(H2,13,14)(H,15,16)(H,17,18)
InChIKeyDCHQQFKAWPDPOZ-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.02
Rot. Bonds3

About 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide

2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105387534) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID105387534
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(N)c1F)c1ncc[nH]1
InChIInChI=1S/C11H12FN5O/c1-6(10-15-4-5-16-10)17-11(18)7-2-3-14-9(13)8(7)12/h2-6H,1H3,(H2,13,14)(H,15,16)(H,17,18)
InChIKeyDCHQQFKAWPDPOZ-UHFFFAOYSA-N
XLogP1.02
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide
CID 114020145
2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 105386943
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 107261346
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 105387484
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280
1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 114610004
3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107519383

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide (CID 105387534) is 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(N)c1F)c1ncc[nH]1.
What is the InChIKey of 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is DCHQQFKAWPDPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-6(10-15-4-5-16-10)17-11(18)7-2-3-14-9(13)8(7)12/h2-6H,1H3,(H2,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide?
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105387534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).