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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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).