2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide

C24H25N5O5 — CID 55376115

IUPAC2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C24H25N5O5/c1-16-14-20(17(2)28(16)18-6-4-3-5-7-18)23(30)25-26-24(31)21-15-19(29(32)33)8-9-22(21)27-10-12-34-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyUYZIGWJGFXEJDU-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.91
Rot. Bonds5

About 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide

2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide (PubChem CID 55376115) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide
PubChem CID55376115
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C24H25N5O5/c1-16-14-20(17(2)28(16)18-6-4-3-5-7-18)23(30)25-26-24(31)21-15-19(29(32)33)8-9-22(21)27-10-12-34-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyUYZIGWJGFXEJDU-UHFFFAOYSA-N
XLogP2.91
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 9279009
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CID 44580260
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
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CID 51158852
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CID 28688347
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide
CID 55342004
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298951
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298949
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 5037290
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 9162549

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide (CID 55376115) is 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is UYZIGWJGFXEJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-16-14-20(17(2)28(16)18-6-4-3-5-7-18)23(30)25-26-24(31)21-15-19(29(32)33)8-9-22(21)27-10-12-34-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide?
2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 463.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 55376115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).