2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide

C17H20N4O3 — CID 136513840

IUPAC2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1
InChIInChI=1S/C17H20N4O3/c1-20(2)15(22)8-11-4-6-13(7-5-11)19-17(24)14-9-12(16(18)23)10-21(14)3/h4-7,9-10H,8H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyDEALDUCXZNBJLA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.01
Rot. Bonds5

About 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide

2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide (PubChem CID 136513840) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide
PubChem CID136513840
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1
InChIInChI=1S/C17H20N4O3/c1-20(2)15(22)8-11-4-6-13(7-5-11)19-17(24)14-9-12(16(18)23)10-21(14)3/h4-7,9-10H,8H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyDEALDUCXZNBJLA-UHFFFAOYSA-N
XLogP1.01
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
CID 136513814
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide
CID 136513810
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 29374337
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55870064
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66128409
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61112295
4-acetyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrole-2-carboxamide
CID 78860169
2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
CID 79346617

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide (CID 136513840) is 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide is CN(C)C(=O)Cc1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1.
What is the InChIKey of 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide?
The InChIKey is DEALDUCXZNBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20(2)15(22)8-11-4-6-13(7-5-11)19-17(24)14-9-12(16(18)23)10-21(14)3/h4-7,9-10H,8H2,1-3H3,(H2,18,23)(H,19,24).
What are the key properties of 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide?
2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide is sourced from PubChem (CID 136513840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).