1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide

C16H19N3O2 — CID 87226609

IUPAC1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(C)n(-c2ccc(N(C)C)cc2)c1C=O
InChIInChI=1S/C16H19N3O2/c1-10-14(9-20)19(11(2)15(10)16(17)21)13-7-5-12(6-8-13)18(3)4/h5-9H,1-4H3,(H2,17,21)
InChIKeyWYQXJASUXKAJLJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide

1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide (PubChem CID 87226609) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide
PubChem CID87226609
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(C)n(-c2ccc(N(C)C)cc2)c1C=O
InChIInChI=1S/C16H19N3O2/c1-10-14(9-20)19(11(2)15(10)16(17)21)13-7-5-12(6-8-13)18(3)4/h5-9H,1-4H3,(H2,17,21)
InChIKeyWYQXJASUXKAJLJ-UHFFFAOYSA-N
XLogP2.07
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide (CID 87226609) is 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(C)n(-c2ccc(N(C)C)cc2)c1C=O.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide?
The InChIKey is WYQXJASUXKAJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-14(9-20)19(11(2)15(10)16(17)21)13-7-5-12(6-8-13)18(3)4/h5-9H,1-4H3,(H2,17,21).
What are the key properties of 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide?
1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-5-formyl-2,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 87226609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).