3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide

C14H20N4O3 — CID 82993269

IUPAC3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide
SMILESCCN(c1cc(C(=O)NC)ccc1[N+](=O)[O-])C1CCNC1
InChIInChI=1S/C14H20N4O3/c1-3-17(11-6-7-16-9-11)13-8-10(14(19)15-2)4-5-12(13)18(20)21/h4-5,8,11,16H,3,6-7,9H2,1-2H3,(H,15,19)
InChIKeyLSHATLGPIPXDRV-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.14
Rot. Bonds5

About 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide

3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide (PubChem CID 82993269) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide
PubChem CID82993269
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide
SMILESCCN(c1cc(C(=O)NC)ccc1[N+](=O)[O-])C1CCNC1
InChIInChI=1S/C14H20N4O3/c1-3-17(11-6-7-16-9-11)13-8-10(14(19)15-2)4-5-12(13)18(20)21/h4-5,8,11,16H,3,6-7,9H2,1-2H3,(H,15,19)
InChIKeyLSHATLGPIPXDRV-UHFFFAOYSA-N
XLogP1.14
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.14
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

4-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-3-nitrobenzamide
CID 82992888
4-[ethyl(pyrrolidin-3-yl)amino]-3-nitrobenzamide
CID 63299887
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
3-[cyclohexyl(ethyl)amino]-4-nitrobenzoic acid
CID 82769713
N-ethyl-5-nitro-N-pyrrolidin-3-ylisoquinolin-8-amine
CID 103142103
N-methyl-3-nitro-4-(pyrrolidin-3-ylmethoxy)benzamide
CID 82999537
N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
CID 104783801
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
N-ethyl-N-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-3-amine
CID 107260461
N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
CID 115553862
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide?
The IUPAC name of 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide (CID 82993269) is 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide.
What is the SMILES notation for 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide?
The canonical SMILES for 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide is CCN(c1cc(C(=O)NC)ccc1[N+](=O)[O-])C1CCNC1.
What is the InChIKey of 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide?
The InChIKey is LSHATLGPIPXDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-17(11-6-7-16-9-11)13-8-10(14(19)15-2)4-5-12(13)18(20)21/h4-5,8,11,16H,3,6-7,9H2,1-2H3,(H,15,19).
What are the key properties of 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide?
3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 82993269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).