4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

C15H19N3O — CID 43620649

IUPAC4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CN)cc2)n1C
InChIInChI=1S/C15H19N3O/c1-11-3-8-14(18(11)2)10-17-15(19)13-6-4-12(9-16)5-7-13/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyJKLSWTYQOAZFML-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds4

About 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (PubChem CID 43620649) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
PubChem CID43620649
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CN)cc2)n1C
InChIInChI=1S/C15H19N3O/c1-11-3-8-14(18(11)2)10-17-15(19)13-6-4-12(9-16)5-7-13/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyJKLSWTYQOAZFML-UHFFFAOYSA-N
XLogP1.72
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 4786534
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-iodobenzamide
CID 31217494
4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217132
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide
CID 67403099
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 43620669
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
CID 131155774
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
4-(aminomethyl)-N-(furan-3-ylmethyl)benzamide
CID 104694164
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylbutanamide
CID 80542152

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (CID 43620649) is 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(CN)cc2)n1C.
What is the InChIKey of 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The InChIKey is JKLSWTYQOAZFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-8-14(18(11)2)10-17-15(19)13-6-4-12(9-16)5-7-13/h3-8H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide has a molecular weight of 257.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 43620649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).