4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride

C12H20ClN3O2 — CID 120832160

IUPAC4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(C(C)=O)cn1C.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-8(13-3)6-14-12(17)11-5-10(9(2)16)7-15(11)4;/h5,7-8,13H,6H2,1-4H3,(H,14,17);1H
InChIKeyUKZZPBXGXIHVEG-UHFFFAOYSA-N
MW273.76 g/mol
LogP0.99
Rot. Bonds5

About 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride

4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride (PubChem CID 120832160) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
PubChem CID120832160
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(C(C)=O)cn1C.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-8(13-3)6-14-12(17)11-5-10(9(2)16)7-15(11)4;/h5,7-8,13H,6H2,1-4H3,(H,14,17);1H
InChIKeyUKZZPBXGXIHVEG-UHFFFAOYSA-N
XLogP0.99
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride
CID 120828344
1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide
CID 120828345
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451
2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 65218762
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794
4-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538491
methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
CID 43409093
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
4-acetyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 155945564
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 154837440

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride (CID 120832160) is 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cc(C(C)=O)cn1C.Cl.
What is the InChIKey of 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride?
The InChIKey is UKZZPBXGXIHVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-8(13-3)6-14-12(17)11-5-10(9(2)16)7-15(11)4;/h5,7-8,13H,6H2,1-4H3,(H,14,17);1H.
What are the key properties of 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride?
4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120832160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).