N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide

C12H12F2N4O2 — CID 104862732

IUPACN-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H12F2N4O2/c13-12(14,7-19)6-17-11(20)9-1-2-10(16-5-9)18-4-3-15-8-18/h1-5,8,19H,6-7H2,(H,17,20)
InChIKeyWEGFNJRSQMSUBH-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.62
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 104862732) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID104862732
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H12F2N4O2/c13-12(14,7-19)6-17-11(20)9-1-2-10(16-5-9)18-4-3-15-8-18/h1-5,8,19H,6-7H2,(H,17,20)
InChIKeyWEGFNJRSQMSUBH-UHFFFAOYSA-N
XLogP0.62
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 111444790
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24666420
6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811031
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 104862732) is N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide is O=C(NCC(F)(F)CO)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is WEGFNJRSQMSUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-12(14,7-19)6-17-11(20)9-1-2-10(16-5-9)18-4-3-15-8-18/h1-5,8,19H,6-7H2,(H,17,20).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 104862732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).