N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide

C24H25N5O5 — CID 3260115

IUPACN-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H25N5O5/c1-16-20(19-5-2-3-6-21(19)26-16)15-23(31)28-14-4-13-27(28)22(30)11-12-25-24(32)17-7-9-18(10-8-17)29(33)34/h2-3,5-10,26H,4,11-15H2,1H3,(H,25,32)
InChIKeyRNLDBGNESZKDCE-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.72
Rot. Bonds7

About N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide

N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide (PubChem CID 3260115) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
PubChem CID3260115
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H25N5O5/c1-16-20(19-5-2-3-6-21(19)26-16)15-23(31)28-14-4-13-27(28)22(30)11-12-25-24(32)17-7-9-18(10-8-17)29(33)34/h2-3,5-10,26H,4,11-15H2,1H3,(H,25,32)
InChIKeyRNLDBGNESZKDCE-UHFFFAOYSA-N
XLogP2.72
TPSA128.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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

N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 3413008
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 4994200
N-[2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxoethyl]-4-nitrobenzamide
CID 3868260
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
4-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813868
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-nitrobenzamide
CID 7964592
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-nitrobenzamide
CID 5048644
1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356395
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 113211353

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide?
The IUPAC name of N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide (CID 3260115) is N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide.
What is the SMILES notation for N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide?
The canonical SMILES for N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide is Cc1[nH]c2ccccc2c1CC(=O)N1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide?
The InChIKey is RNLDBGNESZKDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-16-20(19-5-2-3-6-21(19)26-16)15-23(31)28-14-4-13-27(28)22(30)11-12-25-24(32)17-7-9-18(10-8-17)29(33)34/h2-3,5-10,26H,4,11-15H2,1H3,(H,25,32).
What are the key properties of N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide?
N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide has a molecular weight of 463.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide is sourced from PubChem (CID 3260115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).