N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide

C25H27N3O4 — CID 24531698

IUPACN'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C25H27N3O4/c1-4-5-15-32-22-14-11-19(16-23(22)31-3)24(29)27-28-25(30)20-12-13-21(26-17(20)2)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyQHZCJVIPMVLWDN-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.32
Rot. Bonds8

About N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide (PubChem CID 24531698) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
PubChem CID24531698
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C25H27N3O4/c1-4-5-15-32-22-14-11-19(16-23(22)31-3)24(29)27-28-25(30)20-12-13-21(26-17(20)2)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyQHZCJVIPMVLWDN-UHFFFAOYSA-N
XLogP4.32
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889507
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
CID 26621803
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide
CID 43045495
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
CID 24553439
N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 24627420
N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 25442499

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide (CID 24531698) is N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide?
The InChIKey is QHZCJVIPMVLWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-5-15-32-22-14-11-19(16-23(22)31-3)24(29)27-28-25(30)20-12-13-21(26-17(20)2)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide has a molecular weight of 433.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide is sourced from PubChem (CID 24531698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).