N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide

C19H17ClN4O4 — CID 3631876

IUPACN'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
SMILESCC(=O)N(NC(=O)c1ccncc1)C1CC(=O)N(c2cc(Cl)ccc2C)C1=O
InChIInChI=1S/C19H17ClN4O4/c1-11-3-4-14(20)9-15(11)23-17(26)10-16(19(23)28)24(12(2)25)22-18(27)13-5-7-21-8-6-13/h3-9,16H,10H2,1-2H3,(H,22,27)
InChIKeyCEGYJMXZELCVNR-UHFFFAOYSA-N
MW400.82 g/mol
LogP1.87
Rot. Bonds3

About N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide

N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide (PubChem CID 3631876) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
PubChem CID3631876
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC NameN'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
SMILESCC(=O)N(NC(=O)c1ccncc1)C1CC(=O)N(c2cc(Cl)ccc2C)C1=O
InChIInChI=1S/C19H17ClN4O4/c1-11-3-4-14(20)9-15(11)23-17(26)10-16(19(23)28)24(12(2)25)22-18(27)13-5-7-21-8-6-13/h3-9,16H,10H2,1-2H3,(H,22,27)
InChIKeyCEGYJMXZELCVNR-UHFFFAOYSA-N
XLogP1.87
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-N-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5115038
N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 3983480
N'-acetyl-N'-[1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 5019234
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)pyridine-4-carbohydrazide
CID 5115041
N'-acetyl-N'-[1-(3,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 4558905
N'-acetyl-N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 5100494
N'-but-2-enoyl-N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3639291
N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoylpyridine-4-carbohydrazide
CID 3288338
N'-acetyl-N'-[1-(3,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitrobenzohydrazide
CID 4022087
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4242541
(3R)-1-(5-chloro-2-methylphenyl)-3-[4-[(3R)-1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 9499051
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide (CID 3631876) is N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide is CC(=O)N(NC(=O)c1ccncc1)C1CC(=O)N(c2cc(Cl)ccc2C)C1=O.
What is the InChIKey of N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The InChIKey is CEGYJMXZELCVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-11-3-4-14(20)9-15(11)23-17(26)10-16(19(23)28)24(12(2)25)22-18(27)13-5-7-21-8-6-13/h3-9,16H,10H2,1-2H3,(H,22,27).
What are the key properties of N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide has a molecular weight of 400.82 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 3631876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).