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

C11H18N4O2 — CID 120828345

IUPAC1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide
SMILESCNC(C)CNC(=O)c1cc(C(N)=O)cn1C
InChIInChI=1S/C11H18N4O2/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)
InChIKeyFSKAOIOBOGTMGY-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.54
Rot. Bonds5

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

1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide (PubChem CID 120828345) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide
PubChem CID120828345
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide
SMILESCNC(C)CNC(=O)c1cc(C(N)=O)cn1C
InChIInChI=1S/C11H18N4O2/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)
InChIKeyFSKAOIOBOGTMGY-UHFFFAOYSA-N
XLogP-0.54
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.54
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;hydrochloride
CID 120828344
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
(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451
2-N-[2-(cycloheptylamino)ethyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119621202
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
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
2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 65218762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide?
The IUPAC name of 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide (CID 120828345) is 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide?
The canonical SMILES for 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide is CNC(C)CNC(=O)c1cc(C(N)=O)cn1C.
What is the InChIKey of 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide?
The InChIKey is FSKAOIOBOGTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/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).
What are the key properties of 1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide?
1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.54, 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 is sourced from PubChem (CID 120828345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).