5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

C15H24N4O — CID 62635734

IUPAC5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCCN1CCCC1
InChIInChI=1S/C15H24N4O/c1-18(2)14-6-5-12(16)11-13(14)15(20)17-7-10-19-8-3-4-9-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20)
InChIKeyFHXIHKKTZNGJPG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.16
Rot. Bonds5

About 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 62635734) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID62635734
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCCN1CCCC1
InChIInChI=1S/C15H24N4O/c1-18(2)14-6-5-12(16)11-13(14)15(20)17-7-10-19-8-3-4-9-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20)
InChIKeyFHXIHKKTZNGJPG-UHFFFAOYSA-N
XLogP1.16
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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5-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
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5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
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5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
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(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 62635734) is 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide is CN(C)c1ccc(N)cc1C(=O)NCCN1CCCC1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is FHXIHKKTZNGJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(2)14-6-5-12(16)11-13(14)15(20)17-7-10-19-8-3-4-9-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20).
What are the key properties of 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 62635734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).