5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide

C20H23N3O — CID 3744019

IUPAC5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CC1CCCCC1
InChIInChI=1S/C20H23N3O/c1-14-18(20(22)24)11-19(17-9-7-15(12-21)8-10-17)23(14)13-16-5-3-2-4-6-16/h7-11,16H,2-6,13H2,1H3,(H2,22,24)
InChIKeyHXMQNFFFCFNQDT-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.01
Rot. Bonds4

About 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide

5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3744019) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
PubChem CID3744019
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CC1CCCCC1
InChIInChI=1S/C20H23N3O/c1-14-18(20(22)24)11-19(17-9-7-15(12-21)8-10-17)23(14)13-16-5-3-2-4-6-16/h7-11,16H,2-6,13H2,1H3,(H2,22,24)
InChIKeyHXMQNFFFCFNQDT-UHFFFAOYSA-N
XLogP4.01
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide (CID 3744019) is 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CC1CCCCC1.
What is the InChIKey of 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is HXMQNFFFCFNQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-18(20(22)24)11-19(17-9-7-15(12-21)8-10-17)23(14)13-16-5-3-2-4-6-16/h7-11,16H,2-6,13H2,1H3,(H2,22,24).
What are the key properties of 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3744019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).