2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C15H19N3O — CID 106416688

IUPAC2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CNC(=O)c1ccccc1CCN
InChIInChI=1S/C15H19N3O/c1-18-10-4-6-13(18)11-17-15(19)14-7-3-2-5-12(14)8-9-16/h2-7,10H,8-9,11,16H2,1H3,(H,17,19)
InChIKeyUTMNBOMVNVDIFX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.46
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide

2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 106416688) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID106416688
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CNC(=O)c1ccccc1CCN
InChIInChI=1S/C15H19N3O/c1-18-10-4-6-13(18)11-17-15(19)14-7-3-2-5-12(14)8-9-16/h2-7,10H,8-9,11,16H2,1H3,(H,17,19)
InChIKeyUTMNBOMVNVDIFX-UHFFFAOYSA-N
XLogP1.46
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011853
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 103713431
N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106422181
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-7-carboxamide
CID 103713426

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 106416688) is 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide is Cn1cccc1CNC(=O)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is UTMNBOMVNVDIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-10-4-6-13(18)11-17-15(19)14-7-3-2-5-12(14)8-9-16/h2-7,10H,8-9,11,16H2,1H3,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 257.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 106416688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).