N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

C19H19N5O4 — CID 27563774

IUPACN'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12
InChIInChI=1S/C19H19N5O4/c1-3-24-19(27)13-9-6-5-8-12(13)15(23-24)17(26)22-21-16(25)14-10-7-11-20-18(14)28-4-2/h5-11H,3-4H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPATPVFVOWSQPGL-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.28
Rot. Bonds5

About N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 27563774) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
PubChem CID27563774
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12
InChIInChI=1S/C19H19N5O4/c1-3-24-19(27)13-9-6-5-8-12(13)15(23-24)17(26)22-21-16(25)14-10-7-11-20-18(14)28-4-2/h5-11H,3-4H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPATPVFVOWSQPGL-UHFFFAOYSA-N
XLogP1.28
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloropyridine-4-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 34654446
N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2674005
N'-(4-chloro-2-iodobenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 39704558
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
CID 18139335
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
3-ethyl-N'-(5-methylthiophene-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 27563716
N'-[2-(2,3-dimethylphenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 8838624
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide
CID 9369810
N'-(3-chloro-1-benzothiophene-2-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27563829
3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
CID 7979969

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide (CID 27563774) is N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide is CCOc1ncccc1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12.
What is the InChIKey of N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is PATPVFVOWSQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-3-24-19(27)13-9-6-5-8-12(13)15(23-24)17(26)22-21-16(25)14-10-7-11-20-18(14)28-4-2/h5-11H,3-4H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 381.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 27563774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).