2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide

C17H27N3O5 — CID 54236926

IUPAC2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide
SMILESCCOCCCNC(=O)c1ccnc(C(=O)N(O)CCCOCC)c1
InChIInChI=1S/C17H27N3O5/c1-3-24-11-5-8-19-16(21)14-7-9-18-15(13-14)17(22)20(23)10-6-12-25-4-2/h7,9,13,23H,3-6,8,10-12H2,1-2H3,(H,19,21)
InChIKeyQNFICQBHEOBHMY-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.50
Rot. Bonds12

About 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide

2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide (PubChem CID 54236926) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide
PubChem CID54236926
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide
SMILESCCOCCCNC(=O)c1ccnc(C(=O)N(O)CCCOCC)c1
InChIInChI=1S/C17H27N3O5/c1-3-24-11-5-8-19-16(21)14-7-9-18-15(13-14)17(22)20(23)10-6-12-25-4-2/h7,9,13,23H,3-6,8,10-12H2,1-2H3,(H,19,21)
InChIKeyQNFICQBHEOBHMY-UHFFFAOYSA-N
XLogP1.50
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
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

N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 62185207
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
CID 106041493
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide (CID 54236926) is 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide is CCOCCCNC(=O)c1ccnc(C(=O)N(O)CCCOCC)c1.
What is the InChIKey of 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide?
The InChIKey is QNFICQBHEOBHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-3-24-11-5-8-19-16(21)14-7-9-18-15(13-14)17(22)20(23)10-6-12-25-4-2/h7,9,13,23H,3-6,8,10-12H2,1-2H3,(H,19,21).
What are the key properties of 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide?
2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.50, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide is sourced from PubChem (CID 54236926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).