3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

C20H23N5O3 — CID 38854366

IUPAC3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H23N5O3/c26-20(22-16-6-8-19(21-14-16)24-11-3-4-12-24)15-5-7-17(18(13-15)25(27)28)23-9-1-2-10-23/h5-8,13-14H,1-4,9-12H2,(H,22,26)
InChIKeyYLHKJMUAQKHXDI-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.44
Rot. Bonds5

About 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 38854366) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID38854366
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H23N5O3/c26-20(22-16-6-8-19(21-14-16)24-11-3-4-12-24)15-5-7-17(18(13-15)25(27)28)23-9-1-2-10-23/h5-8,13-14H,1-4,9-12H2,(H,22,26)
InChIKeyYLHKJMUAQKHXDI-UHFFFAOYSA-N
XLogP3.44
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamoylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 26253023
N-(4-benzamidophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510251
N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitrobenzamide
CID 7406902
3-nitro-N-[4-(phenylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 55527532
3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 3431064
4-(4-acetylpiperazin-1-yl)-N-(6-amino-3-pyridinyl)-3-nitrobenzamide
CID 119515216
3-nitro-4-piperidin-1-yl-N-[4-(propanoylamino)phenyl]benzamide
CID 3307696
N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 7409582
3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-nitrobenzamide
CID 26125820
4-(4-acetylpiperazin-1-yl)-N-(6-amino-3-pyridinyl)-3-nitrobenzamide;hydrochloride
CID 119515215
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide
CID 25396889
4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
CID 4810767

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 38854366) is 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is YLHKJMUAQKHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-20(22-16-6-8-19(21-14-16)24-11-3-4-12-24)15-5-7-17(18(13-15)25(27)28)23-9-1-2-10-23/h5-8,13-14H,1-4,9-12H2,(H,22,26).
What are the key properties of 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 381.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 38854366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).