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

C22H24N4O4 — CID 25138266

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCc1nc2ccccn2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1
InChIKeyYXKKEOGFLPKGED-ZWKOTPCHSA-N
MW408.46 g/mol
LogP1.87
Rot. Bonds5

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

(3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 25138266) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID25138266
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCc1nc2ccccn2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1
InChIKeyYXKKEOGFLPKGED-ZWKOTPCHSA-N
XLogP1.87
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.87
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-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (CID 25138266) is (3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[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-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is Cc1nc2ccccn2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is YXKKEOGFLPKGED-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.87, 5 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-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 25138266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).