N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide

C14H18N4O2 — CID 79246612

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H18N4O2/c1-10(2)12(8-19)17-14(20)11-3-4-13(16-7-11)18-6-5-15-9-18/h3-7,9-10,12,19H,8H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyXMOJAFXKLXKLGP-GFCCVEGCSA-N
MW274.32 g/mol
LogP1.01
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 79246612) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID79246612
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H18N4O2/c1-10(2)12(8-19)17-14(20)11-3-4-13(16-7-11)18-6-5-15-9-18/h3-7,9-10,12,19H,8H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyXMOJAFXKLXKLGP-GFCCVEGCSA-N
XLogP1.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 134001981
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 51725269
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 60555147
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94031928

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 79246612) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide is CC(C)[C@@H](CO)NC(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is XMOJAFXKLXKLGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(2)12(8-19)17-14(20)11-3-4-13(16-7-11)18-6-5-15-9-18/h3-7,9-10,12,19H,8H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 79246612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).