N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide

C16H21N3O — CID 119383546

IUPACN-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(C)n1Cc1ccccc1
InChIInChI=1S/C16H21N3O/c1-12-10-15(16(20)18-9-8-17)13(2)19(12)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyBSCMUDYNEDTNSU-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.84
Rot. Bonds5

About N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide

N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 119383546) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID119383546
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(C)n1Cc1ccccc1
InChIInChI=1S/C16H21N3O/c1-12-10-15(16(20)18-9-8-17)13(2)19(12)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyBSCMUDYNEDTNSU-UHFFFAOYSA-N
XLogP1.84
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119641511
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871
1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55715544
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanediamide
CID 56807575
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55528829
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119607026
N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 75447829
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 86979094

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (CID 119383546) is N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCN)c(C)n1Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is BSCMUDYNEDTNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-10-15(16(20)18-9-8-17)13(2)19(12)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119383546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).