N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide

C20H22N4O2 — CID 54586320

IUPACN-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc([C@@](O)(c3cnc[nH]3)C(C)C)cc2)n1
InChIInChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m1/s1
InChIKeyIMIWIUDULMYEKK-HXUWFJFHSA-N
MW350.42 g/mol
LogP3.32
Rot. Bonds5

About N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide

N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide (PubChem CID 54586320) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide
PubChem CID54586320
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc([C@@](O)(c3cnc[nH]3)C(C)C)cc2)n1
InChIInChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m1/s1
InChIKeyIMIWIUDULMYEKK-HXUWFJFHSA-N
XLogP3.32
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide (CID 54586320) is N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cccc(-c2ccc([C@@](O)(c3cnc[nH]3)C(C)C)cc2)n1.
What is the InChIKey of N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide?
The InChIKey is IMIWIUDULMYEKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m1/s1.
What are the key properties of N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide?
N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(1R)-1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 54586320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).