5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide

C22H25N3O5 — CID 89122213

IUPAC5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide
SMILESCC1(C)OCc2c(C(N[C@H](CO)c3ccccc3)=C3CC3)cnc(C(=O)NO)c2O1
InChIInChI=1S/C22H25N3O5/c1-22(2)29-12-16-15(10-23-19(20(16)30-22)21(27)25-28)18(14-8-9-14)24-17(11-26)13-6-4-3-5-7-13/h3-7,10,17,24,26,28H,8-9,11-12H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyQBQUOIDOMVBCEP-QGZVFWFLSA-N
MW411.46 g/mol
LogP2.67
Rot. Bonds6

About 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide

5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide (PubChem CID 89122213) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide
PubChem CID89122213
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide
SMILESCC1(C)OCc2c(C(N[C@H](CO)c3ccccc3)=C3CC3)cnc(C(=O)NO)c2O1
InChIInChI=1S/C22H25N3O5/c1-22(2)29-12-16-15(10-23-19(20(16)30-22)21(27)25-28)18(14-8-9-14)24-17(11-26)13-6-4-3-5-7-13/h3-7,10,17,24,26,28H,8-9,11-12H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyQBQUOIDOMVBCEP-QGZVFWFLSA-N
XLogP2.67
TPSA112.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 91820892
N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
CID 113356437
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 110001954
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
(3S)-3-(4-cyanophenyl)-3-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylamino]propanoic acid
CID 68895776
2-(hydroxyamino)-2-phenylethanol
CID 12782000
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide?
The IUPAC name of 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide (CID 89122213) is 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide.
What is the SMILES notation for 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide?
The canonical SMILES for 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide is CC1(C)OCc2c(C(N[C@H](CO)c3ccccc3)=C3CC3)cnc(C(=O)NO)c2O1.
What is the InChIKey of 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide?
The InChIKey is QBQUOIDOMVBCEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-22(2)29-12-16-15(10-23-19(20(16)30-22)21(27)25-28)18(14-8-9-14)24-17(11-26)13-6-4-3-5-7-13/h3-7,10,17,24,26,28H,8-9,11-12H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide?
5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylidene-[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-N-hydroxy-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide is sourced from PubChem (CID 89122213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).