N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide

C15H19N3O4 — CID 133410674

IUPACN-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide
SMILESCC1(O)CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H19N3O4/c1-15(20)6-7-17(9-15)12-5-2-10(8-13(12)18(21)22)14(19)16-11-3-4-11/h2,5,8,11,20H,3-4,6-7,9H2,1H3,(H,16,19)
InChIKeyDEVIVBVCQBMZJM-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.45
Rot. Bonds4

About N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide

N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide (PubChem CID 133410674) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide
PubChem CID133410674
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide
SMILESCC1(O)CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H19N3O4/c1-15(20)6-7-17(9-15)12-5-2-10(8-13(12)18(21)22)14(19)16-11-3-4-11/h2,5,8,11,20H,3-4,6-7,9H2,1H3,(H,16,19)
InChIKeyDEVIVBVCQBMZJM-UHFFFAOYSA-N
XLogP1.45
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]azetidine-3-carboxylic acid
CID 122064632
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169
1-[4-(3-hydroxy-3-methylpiperidin-1-yl)-3-nitrophenyl]ethanone
CID 115871453
(2R)-1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid
CID 120965117
N-(1-ethylpiperidin-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30768197
N-cyclopropyl-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-3-nitrobenzamide
CID 133396299
N-cyclopropyl-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-nitrobenzamide
CID 133292760
N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 16824424
N-[3-(cyclopropylcarbamoyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 27447562
4-(5-azaspiro[2.5]octan-5-yl)-N-methyl-3-nitrobenzamide
CID 133481095

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide (CID 133410674) is N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide is CC1(O)CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1.
What is the InChIKey of N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide?
The InChIKey is DEVIVBVCQBMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-15(20)6-7-17(9-15)12-5-2-10(8-13(12)18(21)22)14(19)16-11-3-4-11/h2,5,8,11,20H,3-4,6-7,9H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide?
N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide has a molecular weight of 305.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide is sourced from PubChem (CID 133410674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).