3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide

C14H22N4O — CID 82988789

IUPAC3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
SMILESCNC(=O)c1ccc(NCCN2CCCC2)c(N)c1
InChIInChI=1S/C14H22N4O/c1-16-14(19)11-4-5-13(12(15)10-11)17-6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9,15H2,1H3,(H,16,19)
InChIKeyUOPFTBJBQVFDFI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.14
Rot. Bonds5

About 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide

3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide (PubChem CID 82988789) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
PubChem CID82988789
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
SMILESCNC(=O)c1ccc(NCCN2CCCC2)c(N)c1
InChIInChI=1S/C14H22N4O/c1-16-14(19)11-4-5-13(12(15)10-11)17-6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9,15H2,1H3,(H,16,19)
InChIKeyUOPFTBJBQVFDFI-UHFFFAOYSA-N
XLogP1.14
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 82991446
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
CID 106324843
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 61242311
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
4-bromo-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 62642302
3-amino-N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 82989349
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-4-[2-[4-carbamoyl-2-(methylamino)anilino]ethylamino]-N-methylbenzamide
CID 156790437
4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
CID 63357336
3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 67448727

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide (CID 82988789) is 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide is CNC(=O)c1ccc(NCCN2CCCC2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide?
The InChIKey is UOPFTBJBQVFDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16-14(19)11-4-5-13(12(15)10-11)17-6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide?
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide has a molecular weight of 262.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide is sourced from PubChem (CID 82988789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).