N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide

C23H31N3O3 — CID 136627531

IUPACN'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide
SMILESCCCCCCCCCCOc1ccc(/N=C(\NO)c2ncccc2C=O)cc1
InChIInChI=1S/C23H31N3O3/c1-2-3-4-5-6-7-8-9-17-29-21-14-12-20(13-15-21)25-23(26-28)22-19(18-27)11-10-16-24-22/h10-16,18,28H,2-9,17H2,1H3,(H,25,26)
InChIKeyZTLCXDFZNNMBRQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.47
Rot. Bonds13

About N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide

N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide (PubChem CID 136627531) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide
PubChem CID136627531
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide
SMILESCCCCCCCCCCOc1ccc(/N=C(\NO)c2ncccc2C=O)cc1
InChIInChI=1S/C23H31N3O3/c1-2-3-4-5-6-7-8-9-17-29-21-14-12-20(13-15-21)25-23(26-28)22-19(18-27)11-10-16-24-22/h10-16,18,28H,2-9,17H2,1H3,(H,25,26)
InChIKeyZTLCXDFZNNMBRQ-UHFFFAOYSA-N
XLogP5.47
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-pentoxypyridine-3-carbaldehyde
CID 11622489
2,3-bis(2-hydroxy-4-octoxyphenyl)benzaldehyde
CID 175013627
4-icosoxybenzaldehyde
CID 23127488
1,1,3,3-tetramethyl-2-(4-octoxyphenyl)guanidine
CID 101472601
bis(4-heptoxyphenyl)diazene
CID 13087198
ethanol;4-octadecoxybenzaldehyde
CID 158692714
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
6-tridecoxyquinoline
CID 174908858
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954

Frequently Asked Questions

What is the IUPAC name of N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide?
The IUPAC name of N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide (CID 136627531) is N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide?
The canonical SMILES for N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide is CCCCCCCCCCOc1ccc(/N=C(\NO)c2ncccc2C=O)cc1.
What is the InChIKey of N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide?
The InChIKey is ZTLCXDFZNNMBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-2-3-4-5-6-7-8-9-17-29-21-14-12-20(13-15-21)25-23(26-28)22-19(18-27)11-10-16-24-22/h10-16,18,28H,2-9,17H2,1H3,(H,25,26).
What are the key properties of N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide?
N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide has a molecular weight of 397.52 g/mol, XLogP of 5.47, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136627531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).