N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

C19H17Cl2N5O3 — CID 71914401

IUPACN'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCc1ncc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(Cl)c1Cl
InChIInChI=1S/C19H17Cl2N5O3/c1-9(2)26-19(29)12-7-5-4-6-11(12)16(25-26)18(28)24-23-17(27)13-8-22-10(3)14(20)15(13)21/h4-9H,1-3H3,(H,23,27)(H,24,28)
InChIKeyMTIGIUDUPBNNHT-UHFFFAOYSA-N
MW434.28 g/mol
LogP3.06
Rot. Bonds3

About N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (PubChem CID 71914401) has the molecular formula C19H17Cl2N5O3 and a molecular weight of 434.28 g/mol. Its IUPAC name is N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
PubChem CID71914401
Molecular FormulaC19H17Cl2N5O3
Molecular Weight434.28 g/mol
Exact Mass433.07
IUPAC NameN'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCc1ncc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(Cl)c1Cl
InChIInChI=1S/C19H17Cl2N5O3/c1-9(2)26-19(29)12-7-5-4-6-11(12)16(25-26)18(28)24-23-17(27)13-8-22-10(3)14(20)15(13)21/h4-9H,1-3H3,(H,23,27)(H,24,28)
InChIKeyMTIGIUDUPBNNHT-UHFFFAOYSA-N
XLogP3.06
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 53.06
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

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CID 55341302
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N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
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N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566475
1-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]-3-prop-2-enylthiourea
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4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
CID 42888349
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
dimethyl-[2-[[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]carbamothioylamino]ethyl]azanium
CID 8747223
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (CID 71914401) is N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is Cc1ncc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(Cl)c1Cl.
What is the InChIKey of N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The InChIKey is MTIGIUDUPBNNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O3/c1-9(2)26-19(29)12-7-5-4-6-11(12)16(25-26)18(28)24-23-17(27)13-8-22-10(3)14(20)15(13)21/h4-9H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide has a molecular weight of 434.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is sourced from PubChem (CID 71914401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).