4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide

C11H20N4O — CID 63693899

IUPAC4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H20N4O/c1-14(2)5-4-6-15(3)11(16)10-7-9(12)8-13-10/h7-8,13H,4-6,12H2,1-3H3
InChIKeyMUHGTQBREGIXTJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.62
Rot. Bonds5

About 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide

4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 63693899) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID63693899
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H20N4O/c1-14(2)5-4-6-15(3)11(16)10-7-9(12)8-13-10/h7-8,13H,4-6,12H2,1-3H3
InChIKeyMUHGTQBREGIXTJ-UHFFFAOYSA-N
XLogP0.62
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 63693899) is 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide is CN(C)CCCN(C)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is MUHGTQBREGIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14(2)5-4-6-15(3)11(16)10-7-9(12)8-13-10/h7-8,13H,4-6,12H2,1-3H3.
What are the key properties of 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63693899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).