4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide

C11H20N4O — CID 82945823

IUPAC4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cc(N)cn1C
InChIInChI=1S/C11H20N4O/c1-8(6-14(2)3)13-11(16)10-5-9(12)7-15(10)4/h5,7-8H,6,12H2,1-4H3,(H,13,16)
InChIKeyHOCNRQYCYQERIY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.29
Rot. Bonds4

About 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide

4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 82945823) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
PubChem CID82945823
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cc(N)cn1C
InChIInChI=1S/C11H20N4O/c1-8(6-14(2)3)13-11(16)10-5-9(12)7-15(10)4/h5,7-8H,6,12H2,1-4H3,(H,13,16)
InChIKeyHOCNRQYCYQERIY-UHFFFAOYSA-N
XLogP0.29
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 106152545
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
CID 61476569
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 82945173
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 43643699
4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 61117628
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
CID 131496462
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107861847
4-amino-1-methyl-N-(1-thiophen-3-ylethyl)pyrrole-2-carboxamide
CID 62841289

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide (CID 82945823) is 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide is CC(CN(C)C)NC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is HOCNRQYCYQERIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(6-14(2)3)13-11(16)10-5-9(12)7-15(10)4/h5,7-8H,6,12H2,1-4H3,(H,13,16).
What are the key properties of 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 82945823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).