5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide

C20H24N4O2 — CID 5221186

IUPAC5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2cccc(C#N)c2)n1CCCN1CCOCC1
InChIInChI=1S/C20H24N4O2/c1-15-18(20(22)25)13-19(17-5-2-4-16(12-17)14-21)24(15)7-3-6-23-8-10-26-11-9-23/h2,4-5,12-13H,3,6-11H2,1H3,(H2,22,25)
InChIKeyVPQNQVXVUWTNPX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.16
Rot. Bonds6

About 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide

5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide (PubChem CID 5221186) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
PubChem CID5221186
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2cccc(C#N)c2)n1CCCN1CCOCC1
InChIInChI=1S/C20H24N4O2/c1-15-18(20(22)25)13-19(17-5-2-4-16(12-17)14-21)24(15)7-3-6-23-8-10-26-11-9-23/h2,4-5,12-13H,3,6-11H2,1H3,(H2,22,25)
InChIKeyVPQNQVXVUWTNPX-UHFFFAOYSA-N
XLogP2.16
TPSA84.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrol-3-yl]-3-oxopropanoic acid
CID 170887151
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3853401
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
CID 118654790
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3727459
5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 3807484
1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811310
4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide (CID 5221186) is 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2cccc(C#N)c2)n1CCCN1CCOCC1.
What is the InChIKey of 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The InChIKey is VPQNQVXVUWTNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-18(20(22)25)13-19(17-5-2-4-16(12-17)14-21)24(15)7-3-6-23-8-10-26-11-9-23/h2,4-5,12-13H,3,6-11H2,1H3,(H2,22,25).
What are the key properties of 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide is sourced from PubChem (CID 5221186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).