N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide

C22H23N3O4 — CID 89034522

IUPACN-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide
SMILESO=C(NO)c1ccnc(-c2ccc(OCc3ccc(CNCCO)cc3)cc2)c1
InChIInChI=1S/C22H23N3O4/c26-12-11-23-14-16-1-3-17(4-2-16)15-29-20-7-5-18(6-8-20)21-13-19(9-10-24-21)22(27)25-28/h1-10,13,23,26,28H,11-12,14-15H2,(H,25,27)
InChIKeyQXQQYRZMMKSRBR-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.53
Rot. Bonds9

About N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide

N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide (PubChem CID 89034522) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide
PubChem CID89034522
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide
SMILESO=C(NO)c1ccnc(-c2ccc(OCc3ccc(CNCCO)cc3)cc2)c1
InChIInChI=1S/C22H23N3O4/c26-12-11-23-14-16-1-3-17(4-2-16)15-29-20-7-5-18(6-8-20)21-13-19(9-10-24-21)22(27)25-28/h1-10,13,23,26,28H,11-12,14-15H2,(H,25,27)
InChIKeyQXQQYRZMMKSRBR-UHFFFAOYSA-N
XLogP2.53
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
methyl 2-[4-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methoxy]phenyl]pyridine-4-carboxylate
CID 90862125
N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide
CID 141395338
[4-[[[2-[4-(4-fluorophenoxy)phenyl]pyridine-4-carbonyl]amino]methyl]phenyl]-trimethylazanium
CID 71566411
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methylamino]ethanol
CID 16766305
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
N,N-diethyl-2-[4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide
CID 82364486
N-hydroxy-6-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 87562744
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide (CID 89034522) is N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide is O=C(NO)c1ccnc(-c2ccc(OCc3ccc(CNCCO)cc3)cc2)c1.
What is the InChIKey of N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide?
The InChIKey is QXQQYRZMMKSRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-12-11-23-14-16-1-3-17(4-2-16)15-29-20-7-5-18(6-8-20)21-13-19(9-10-24-21)22(27)25-28/h1-10,13,23,26,28H,11-12,14-15H2,(H,25,27).
What are the key properties of N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide?
N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.53, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 89034522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).