5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide

C25H27N3O2 — CID 3824561

IUPAC5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1ccccc1OC
InChIInChI=1S/C25H27N3O2/c1-4-5-9-21-24(19-13-11-18(15-26)12-14-19)23(25(27)29)17(2)28(21)16-20-8-6-7-10-22(20)30-3/h6-8,10-14H,4-5,9,16H2,1-3H3,(H2,27,29)
InChIKeyZAARTOKJIRLCBY-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.83
Rot. Bonds8

About 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide

5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide (PubChem CID 3824561) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
PubChem CID3824561
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1ccccc1OC
InChIInChI=1S/C25H27N3O2/c1-4-5-9-21-24(19-13-11-18(15-26)12-14-19)23(25(27)29)17(2)28(21)16-20-8-6-7-10-22(20)30-3/h6-8,10-14H,4-5,9,16H2,1-3H3,(H2,27,29)
InChIKeyZAARTOKJIRLCBY-UHFFFAOYSA-N
XLogP4.83
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3763798
1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3685628
4-(4-tert-butylphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3740985
5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3781030
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3741401
4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3737651
5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methylpyrrole-3-carboxamide
CID 3445579
4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
CID 5019028
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
5-butyl-4-(4-cyanophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3741402
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
CID 3732537

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide (CID 3824561) is 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide is CCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1ccccc1OC.
What is the InChIKey of 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is ZAARTOKJIRLCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-4-5-9-21-24(19-13-11-18(15-26)12-14-19)23(25(27)29)17(2)28(21)16-20-8-6-7-10-22(20)30-3/h6-8,10-14H,4-5,9,16H2,1-3H3,(H2,27,29).
What are the key properties of 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide?
5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3824561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).