2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide

C15H24N4O — CID 115546054

IUPAC2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
SMILESCCN(CC)C1CCN(c2cccc(C(N)=O)c2N)C1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)11-8-9-19(10-11)13-7-5-6-12(14(13)16)15(17)20/h5-7,11H,3-4,8-10,16H2,1-2H3,(H2,17,20)
InChIKeyLNQMVVUMUJRNED-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.29
Rot. Bonds5

About 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide

2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide (PubChem CID 115546054) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
PubChem CID115546054
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
SMILESCCN(CC)C1CCN(c2cccc(C(N)=O)c2N)C1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)11-8-9-19(10-11)13-7-5-6-12(14(13)16)15(17)20/h5-7,11H,3-4,8-10,16H2,1-2H3,(H2,17,20)
InChIKeyLNQMVVUMUJRNED-UHFFFAOYSA-N
XLogP1.29
TPSA75.59 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 115546052
1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168224
2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide
CID 103537154
1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
CID 115994623
2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide
CID 106673191
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]benzoate
CID 113332952
5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 107195794
2-[3-(diethylamino)pyrrolidin-1-yl]-5-methylbenzenecarbothioamide
CID 107928962
3-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]prop-2-enoic acid
CID 76986850
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
CID 63170372
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
2-amino-4-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 104500618

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide?
The IUPAC name of 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide (CID 115546054) is 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide?
The canonical SMILES for 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide is CCN(CC)C1CCN(c2cccc(C(N)=O)c2N)C1.
What is the InChIKey of 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide?
The InChIKey is LNQMVVUMUJRNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18(4-2)11-8-9-19(10-11)13-7-5-6-12(14(13)16)15(17)20/h5-7,11H,3-4,8-10,16H2,1-2H3,(H2,17,20).
What are the key properties of 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide?
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 115546054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).