N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide

C22H21N3O4 — CID 55786733

IUPACN'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)cc1
InChIInChI=1S/C22H21N3O4/c1-3-29-17-9-7-15(8-10-17)20(26)24-25-22(28)18-11-12-19(23-21(18)27)16-6-4-5-14(2)13-16/h4-13H,3H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyCYXCYSUZIRALPM-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.82
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide

N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 55786733) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide
PubChem CID55786733
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)cc1
InChIInChI=1S/C22H21N3O4/c1-3-29-17-9-7-15(8-10-17)20(26)24-25-22(28)18-11-12-19(23-21(18)27)16-6-4-5-14(2)13-16/h4-13H,3H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyCYXCYSUZIRALPM-UHFFFAOYSA-N
XLogP2.82
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N-(4-ethoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497881
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 56572555
N-[1-(4-methoxyphenyl)propyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55756377
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 56524024
2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518239
N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55784472
N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 95633524
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide (CID 55786733) is N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is CYXCYSUZIRALPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-17-9-7-15(8-10-17)20(26)24-25-22(28)18-11-12-19(23-21(18)27)16-6-4-5-14(2)13-16/h4-13H,3H2,1-2H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide?
N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 391.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 55786733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).