N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide

C15H19N3O — CID 43601475

IUPACN-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cccn1C
InChIInChI=1S/C15H19N3O/c1-3-16-11-12-7-4-5-8-13(12)17-15(19)14-9-6-10-18(14)2/h4-10,16H,3,11H2,1-2H3,(H,17,19)
InChIKeyBZADWERISHZLJJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide

N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 43601475) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID43601475
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cccn1C
InChIInChI=1S/C15H19N3O/c1-3-16-11-12-7-4-5-8-13(12)17-15(19)14-9-6-10-18(14)2/h4-10,16H,3,11H2,1-2H3,(H,17,19)
InChIKeyBZADWERISHZLJJ-UHFFFAOYSA-N
XLogP2.39
TPSA46.06 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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223649
N-[2-(ethylaminomethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103793628
N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973168
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
CID 119438837
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 63723902
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
CID 43602424

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 43601475) is N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide is CCNCc1ccccc1NC(=O)c1cccn1C.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BZADWERISHZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-16-11-12-7-4-5-8-13(12)17-15(19)14-9-6-10-18(14)2/h4-10,16H,3,11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43601475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).