1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride

C11H19ClN4O2 — CID 120828344

IUPAC1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(C(N)=O)cn1C.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-7(13-2)5-14-11(17)9-4-8(10(12)16)6-15(9)3;/h4,6-7,13H,5H2,1-3H3,(H2,12,16)(H,14,17);1H
InChIKeyKHTQQZVEKASWPA-UHFFFAOYSA-N
MW274.75 g/mol
LogP-0.12
Rot. Bonds5

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

1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride (PubChem CID 120828344) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride
PubChem CID120828344
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(C(N)=O)cn1C.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-7(13-2)5-14-11(17)9-4-8(10(12)16)6-15(9)3;/h4,6-7,13H,5H2,1-3H3,(H2,12,16)(H,14,17);1H
InChIKeyKHTQQZVEKASWPA-UHFFFAOYSA-N
XLogP-0.12
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide
CID 120828345
4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
CID 120832160
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
4-[(4-carbamoyl-1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 119352577
2-N-[2-(cycloheptylamino)ethyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119621202
(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
CID 136513814
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119612146
1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 120827627
2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide
CID 119612147

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride (CID 120828344) is 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride is CNC(C)CNC(=O)c1cc(C(N)=O)cn1C.Cl.
What is the InChIKey of 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride?
The InChIKey is KHTQQZVEKASWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.ClH/c1-7(13-2)5-14-11(17)9-4-8(10(12)16)6-15(9)3;/h4,6-7,13H,5H2,1-3H3,(H2,12,16)(H,14,17);1H.
What are the key properties of 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride?
1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 120828344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).