N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide

C17H16N4O2 — CID 110001583

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H16N4O2/c22-11-15(13-4-2-1-3-5-13)20-17(23)14-6-7-19-16(10-14)21-9-8-18-12-21/h1-10,12,15,22H,11H2,(H,20,23)/t15-/m1/s1
InChIKeyNXTFIQUNCFVBJL-OAHLLOKOSA-N
MW308.34 g/mol
LogP1.73
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 110001583) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID110001583
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H16N4O2/c22-11-15(13-4-2-1-3-5-13)20-17(23)14-6-7-19-16(10-14)21-9-8-18-12-21/h1-10,12,15,22H,11H2,(H,20,23)/t15-/m1/s1
InChIKeyNXTFIQUNCFVBJL-OAHLLOKOSA-N
XLogP1.73
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51089973
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94815477
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94815476
N-[furan-2-yl(phenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51091279
2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
CID 63183562
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide
CID 51091899
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94816789
N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47071079
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481441

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 110001583) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide is O=C(N[C@H](CO)c1ccccc1)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is NXTFIQUNCFVBJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-11-15(13-4-2-1-3-5-13)20-17(23)14-6-7-19-16(10-14)21-9-8-18-12-21/h1-10,12,15,22H,11H2,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 110001583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).