N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide

C22H29N3O7 — CID 166148951

IUPACN-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
SMILESO=C(CCOCCOCCOCCNC(=O)c1cccc(=O)n1O)NCc1ccccc1
InChIInChI=1S/C22H29N3O7/c26-20(24-17-18-5-2-1-3-6-18)9-11-30-13-15-32-16-14-31-12-10-23-22(28)19-7-4-8-21(27)25(19)29/h1-8,29H,9-17H2,(H,23,28)(H,24,26)
InChIKeyIVEUTCOLFZSDNV-UHFFFAOYSA-N
MW447.49 g/mol
LogP0.57
Rot. Bonds15

About N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide

N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide (PubChem CID 166148951) has the molecular formula C22H29N3O7 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
PubChem CID166148951
Molecular FormulaC22H29N3O7
Molecular Weight447.49 g/mol
Exact Mass447.20
IUPAC NameN-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
SMILESO=C(CCOCCOCCOCCNC(=O)c1cccc(=O)n1O)NCc1ccccc1
InChIInChI=1S/C22H29N3O7/c26-20(24-17-18-5-2-1-3-6-18)9-11-30-13-15-32-16-14-31-12-10-23-22(28)19-7-4-8-21(27)25(19)29/h1-8,29H,9-17H2,(H,23,28)(H,24,26)
InChIKeyIVEUTCOLFZSDNV-UHFFFAOYSA-N
XLogP0.57
TPSA128.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide (CID 166148951) is N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide is O=C(CCOCCOCCOCCNC(=O)c1cccc(=O)n1O)NCc1ccccc1.
What is the InChIKey of N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The InChIKey is IVEUTCOLFZSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O7/c26-20(24-17-18-5-2-1-3-6-18)9-11-30-13-15-32-16-14-31-12-10-23-22(28)19-7-4-8-21(27)25(19)29/h1-8,29H,9-17H2,(H,23,28)(H,24,26).
What are the key properties of N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 0.57, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[3-(benzylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 166148951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).