4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide

C23H23N3O2 — CID 171354188

IUPAC4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)[C@H]1c1cccnc1
InChIInChI=1S/C23H23N3O2/c1-23(2)19-7-3-4-8-20(19)26(21(23)18-6-5-13-24-14-18)15-16-9-11-17(12-10-16)22(27)25-28/h3-14,21,28H,15H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyHGCZGYHCBRKJNB-NRFANRHFSA-N
MW373.46 g/mol
LogP4.24
Rot. Bonds4

About 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide

4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 171354188) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID171354188
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)[C@H]1c1cccnc1
InChIInChI=1S/C23H23N3O2/c1-23(2)19-7-3-4-8-20(19)26(21(23)18-6-5-13-24-14-18)15-16-9-11-17(12-10-16)22(27)25-28/h3-14,21,28H,15H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyHGCZGYHCBRKJNB-NRFANRHFSA-N
XLogP4.24
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(3,3-dimethyl-2-pyridin-3-ylazetidine-1-carbonyl)amino]methyl]benzoic acid
CID 122020132
pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
CID 10990261
N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide
CID 155536301
4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162652849
2-benzyl-5-methyl-3-pyridin-3-yl-3,4-dihydropyrazole-4-carboxylic acid
CID 82072861
4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
CID 73300935
3-acetyl-1-benzyl-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3151830
N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889592
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7270819
N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide
CID 166803197
N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide
CID 58011595
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921877

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide (CID 171354188) is 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide is CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)[C@H]1c1cccnc1.
What is the InChIKey of 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is HGCZGYHCBRKJNB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-23(2)19-7-3-4-8-20(19)26(21(23)18-6-5-13-24-14-18)15-16-9-11-17(12-10-16)22(27)25-28/h3-14,21,28H,15H2,1-2H3,(H,25,27)/t21-/m0/s1.
What are the key properties of 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide?
4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 373.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-3,3-dimethyl-2-pyridin-3-yl-2H-indol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 171354188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).