2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide

C51H57N7O15 — CID 87525030

IUPAC2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide
SMILESO=C(NO)C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)N(C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)C(=O)NO)C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)C(=O)NO
InChIInChI=1S/C51H57N7O15/c59-25-22-55-19-16-43(62)46(71-31-34-10-4-1-5-11-34)37(55)28-40(49(65)52-68)58(41(50(66)53-69)29-38-47(44(63)17-20-56(38)23-26-60)72-32-35-12-6-2-7-13-35)42(51(67)54-70)30-39-48(45(64)18-21-57(39)24-27-61)73-33-36-14-8-3-9-15-36/h1-21,40-42,59-61,68-70H,22-33H2,(H,52,65)(H,53,66)(H,54,67)
InChIKeyHUYWVHSQHAROCN-UHFFFAOYSA-N
MW1008.05 g/mol
LogP0.84
Rot. Bonds27

About 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide

2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide (PubChem CID 87525030) has the molecular formula C51H57N7O15 and a molecular weight of 1008.05 g/mol. Its IUPAC name is 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide
PubChem CID87525030
Molecular FormulaC51H57N7O15
Molecular Weight1008.05 g/mol
Exact Mass1007.39
IUPAC Name2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide
SMILESO=C(NO)C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)N(C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)C(=O)NO)C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)C(=O)NO
InChIInChI=1S/C51H57N7O15/c59-25-22-55-19-16-43(62)46(71-31-34-10-4-1-5-11-34)37(55)28-40(49(65)52-68)58(41(50(66)53-69)29-38-47(44(63)17-20-56(38)23-26-60)72-32-35-12-6-2-7-13-35)42(51(67)54-70)30-39-48(45(64)18-21-57(39)24-27-61)73-33-36-14-8-3-9-15-36/h1-21,40-42,59-61,68-70H,22-33H2,(H,52,65)(H,53,66)(H,54,67)
InChIKeyHUYWVHSQHAROCN-UHFFFAOYSA-N
XLogP0.84
TPSA305.61 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.05
LogP ≤ 50.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide with MolForge

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Related Compounds

1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
2-[(4-chlorophenyl)-hydroxymethyl]-1-(2-hydroxyethyl)-3-phenylmethoxypyridin-4-one
CID 21474316
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952
4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 58489013
1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid
CID 87289982
1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 90068928
N-[4-amino-7-[[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]-4-[3-[[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]propyl]heptyl]-3-(cyclohexa-2,4-dien-1-ylmethoxy)-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
CID 89256879
N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 25234889
1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560096

Frequently Asked Questions

What is the IUPAC name of 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide?
The IUPAC name of 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide (CID 87525030) is 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide?
The canonical SMILES for 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide is O=C(NO)C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)N(C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)C(=O)NO)C(Cc1c(OCc2ccccc2)c(=O)ccn1CCO)C(=O)NO.
What is the InChIKey of 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide?
The InChIKey is HUYWVHSQHAROCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H57N7O15/c59-25-22-55-19-16-43(62)46(71-31-34-10-4-1-5-11-34)37(55)28-40(49(65)52-68)58(41(50(66)53-69)29-38-47(44(63)17-20-56(38)23-26-60)72-32-35-12-6-2-7-13-35)42(51(67)54-70)30-39-48(45(64)18-21-57(39)24-27-61)73-33-36-14-8-3-9-15-36/h1-21,40-42,59-61,68-70H,22-33H2,(H,52,65)(H,53,66)(H,54,67).
What are the key properties of 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide?
2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide has a molecular weight of 1008.05 g/mol, XLogP of 0.84, 27 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide is sourced from PubChem (CID 87525030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).