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

C15H19N3O — CID 110473301

IUPAC2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCN(C)c1ccccc1C(=O)NCc1cccn1C
InChIInChI=1S/C15H19N3O/c1-17(2)14-9-5-4-8-13(14)15(19)16-11-12-7-6-10-18(12)3/h4-10H,11H2,1-3H3,(H,16,19)
InChIKeyLEXOOWQZCNVQSR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.02
Rot. Bonds4

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

2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 110473301) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID110473301
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCN(C)c1ccccc1C(=O)NCc1cccn1C
InChIInChI=1S/C15H19N3O/c1-17(2)14-9-5-4-8-13(14)15(19)16-11-12-7-6-10-18(12)3/h4-10H,11H2,1-3H3,(H,16,19)
InChIKeyLEXOOWQZCNVQSR-UHFFFAOYSA-N
XLogP2.02
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
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-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
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
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
2-[(1-methylpyrrol-2-yl)methylamino]benzoic acid
CID 60756055
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 110473301) is 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide is CN(C)c1ccccc1C(=O)NCc1cccn1C.
What is the InChIKey of 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is LEXOOWQZCNVQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17(2)14-9-5-4-8-13(14)15(19)16-11-12-7-6-10-18(12)3/h4-10H,11H2,1-3H3,(H,16,19).
What are the key properties of 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 110473301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).