N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide

C20H22ClN3O5 — CID 134466612

IUPACN-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide
SMILESC[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNC(=O)c2cnccc2Cl)[C@H]1O
InChIInChI=1S/C20H22ClN3O5/c1-20(11-24(28)19(27)13-5-3-2-4-6-13)12-29-16(17(20)25)10-23-18(26)14-9-22-8-7-15(14)21/h2-9,16-17,25,28H,10-12H2,1H3,(H,23,26)/t16-,17-,20-/m1/s1
InChIKeyLNVTVBHYUOEBOK-MBOZVWFJSA-N
MW419.87 g/mol
LogP1.76
Rot. Bonds6

About N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide

N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide (PubChem CID 134466612) has the molecular formula C20H22ClN3O5 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide
PubChem CID134466612
Molecular FormulaC20H22ClN3O5
Molecular Weight419.87 g/mol
Exact Mass419.12
IUPAC NameN-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide
SMILESC[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNC(=O)c2cnccc2Cl)[C@H]1O
InChIInChI=1S/C20H22ClN3O5/c1-20(11-24(28)19(27)13-5-3-2-4-6-13)12-29-16(17(20)25)10-23-18(26)14-9-22-8-7-15(14)21/h2-9,16-17,25,28H,10-12H2,1H3,(H,23,26)/t16-,17-,20-/m1/s1
InChIKeyLNVTVBHYUOEBOK-MBOZVWFJSA-N
XLogP1.76
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 51.76
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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Related Compounds

N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide
CID 134466591
N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-3,4-difluorobenzamide
CID 134466866
N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide
CID 134466635
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
N-[[(4S,5R)-4-(benzamidomethyl)-2,2-dimethyl-1,3,6-trioxocan-5-yl]methyl]-3-chloropyridine-4-carboxamide
CID 129207056
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-4,6-dichloropyridine-3-carboxamide
CID 129185589
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 129185581
N-[[(2R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 118652223
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
N-[[(3S,4R,5R)-3,4-dihydroxy-5-[(phenylcarbamothioylamino)methyl]oxolan-3-yl]methyl]-N-hydroxybenzamide
CID 134466706

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide (CID 134466612) is N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide is C[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNC(=O)c2cnccc2Cl)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide?
The InChIKey is LNVTVBHYUOEBOK-MBOZVWFJSA-N. The full InChI is InChI=1S/C20H22ClN3O5/c1-20(11-24(28)19(27)13-5-3-2-4-6-13)12-29-16(17(20)25)10-23-18(26)14-9-22-8-7-15(14)21/h2-9,16-17,25,28H,10-12H2,1H3,(H,23,26)/t16-,17-,20-/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide?
N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 134466612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).