1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide

C23H23N3O5 — CID 27370719

IUPAC1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
SMILESCCOc1ccc(OCC(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O5/c1-2-30-19-9-11-20(12-10-19)31-16-21(27)24-25-23(29)18-8-13-22(28)26(15-18)14-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,24,27)(H,25,29)
InChIKeyDFRYMSFQCRJYAI-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.14
Rot. Bonds8

About 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide

1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide (PubChem CID 27370719) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
PubChem CID27370719
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
SMILESCCOc1ccc(OCC(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O5/c1-2-30-19-9-11-20(12-10-19)31-16-21(27)24-25-23(29)18-8-13-22(28)26(15-18)14-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,24,27)(H,25,29)
InChIKeyDFRYMSFQCRJYAI-UHFFFAOYSA-N
XLogP2.14
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370696
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 30837166
1-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]-3-methylthiourea
CID 2764907
N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9324440
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea
CID 30859594
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 167832722
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide (CID 27370719) is 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide is CCOc1ccc(OCC(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The InChIKey is DFRYMSFQCRJYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-2-30-19-9-11-20(12-10-19)31-16-21(27)24-25-23(29)18-8-13-22(28)26(15-18)14-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,24,27)(H,25,29).
What are the key properties of 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide has a molecular weight of 421.45 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 27370719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).