(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide

C24H28N4O4 — CID 25138267

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCC(C)c1nc2ccccn2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C24H28N4O4/c1-15(2)22-20(28-11-4-3-5-21(28)26-22)13-16-6-8-17(9-7-16)23(29)25-19-10-12-32-14-18(19)24(30)27-31/h3-9,11,15,18-19,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t18-,19+/m0/s1
InChIKeyMMRITKOLOPLQTB-RBUKOAKNSA-N
MW436.51 g/mol
LogP2.69
Rot. Bonds6

About (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide

(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 25138267) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID25138267
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCC(C)c1nc2ccccn2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C24H28N4O4/c1-15(2)22-20(28-11-4-3-5-21(28)26-22)13-16-6-8-17(9-7-16)23(29)25-19-10-12-32-14-18(19)24(30)27-31/h3-9,11,15,18-19,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t18-,19+/m0/s1
InChIKeyMMRITKOLOPLQTB-RBUKOAKNSA-N
XLogP2.69
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (CID 25138267) is (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is CC(C)c1nc2ccccn2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is MMRITKOLOPLQTB-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15(2)22-20(28-11-4-3-5-21(28)26-22)13-16-6-8-17(9-7-16)23(29)25-19-10-12-32-14-18(19)24(30)27-31/h3-9,11,15,18-19,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t18-,19+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 25138267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).