4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

C26H40N4O — CID 3599346

IUPAC4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1
InChIInChI=1S/C26H40N4O/c1-5-6-8-11-23-25(21-12-14-22(15-13-21)28(3)4)24(26(27)31)20(2)30(23)19-18-29-16-9-7-10-17-29/h12-15H,5-11,16-19H2,1-4H3,(H2,27,31)
InChIKeyUGXHWKYSDSWADJ-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.85
Rot. Bonds10

About 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 3599346) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID3599346
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC Name4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1
InChIInChI=1S/C26H40N4O/c1-5-6-8-11-23-25(21-12-14-22(15-13-21)28(3)4)24(26(27)31)20(2)30(23)19-18-29-16-9-7-10-17-29/h12-15H,5-11,16-19H2,1-4H3,(H2,27,31)
InChIKeyUGXHWKYSDSWADJ-UHFFFAOYSA-N
XLogP4.85
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (CID 3599346) is 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is CCCCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is UGXHWKYSDSWADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c1-5-6-8-11-23-25(21-12-14-22(15-13-21)28(3)4)24(26(27)31)20(2)30(23)19-18-29-16-9-7-10-17-29/h12-15H,5-11,16-19H2,1-4H3,(H2,27,31).
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 424.63 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3599346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).