[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid

C23H25N3O3 — CID 57425667

IUPAC[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@@](NC(=O)O)(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H25N3O3/c1-21(2,3)23(26-20(27)28,17-9-5-4-6-10-17)22(29,18-11-7-13-24-15-18)19-12-8-14-25-16-19/h4-16,26,29H,1-3H3,(H,27,28)/t23-/m0/s1
InChIKeyWXJCZUMYEJCHSF-QHCPKHFHSA-N
MW391.47 g/mol
LogP3.92
Rot. Bonds5

About [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid

[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid (PubChem CID 57425667) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid
PubChem CID57425667
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@@](NC(=O)O)(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H25N3O3/c1-21(2,3)23(26-20(27)28,17-9-5-4-6-10-17)22(29,18-11-7-13-24-15-18)19-12-8-14-25-16-19/h4-16,26,29H,1-3H3,(H,27,28)/t23-/m0/s1
InChIKeyWXJCZUMYEJCHSF-QHCPKHFHSA-N
XLogP3.92
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid
CID 68961783
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
(1R)-N-methyl-1-phenyl-1-pyridin-3-ylethanamine
CID 135057119
2-phenylpropan-2-ylcarbamic acid
CID 23445609
methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid (CID 57425667) is [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid is CC(C)(C)[C@@](NC(=O)O)(c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid?
The InChIKey is WXJCZUMYEJCHSF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-21(2,3)23(26-20(27)28,17-9-5-4-6-10-17)22(29,18-11-7-13-24-15-18)19-12-8-14-25-16-19/h4-16,26,29H,1-3H3,(H,27,28)/t23-/m0/s1.
What are the key properties of [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid?
[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid has a molecular weight of 391.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid is sourced from PubChem (CID 57425667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).