5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide

C25H29N3O3 — CID 7347913

IUPAC5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c(C)n2-c2ccccc2)c1
InChIInChI=1S/C25H29N3O3/c1-19-23(25(29)26-11-12-27-13-15-31-16-14-27)18-24(20-7-6-10-22(17-20)30-2)28(19)21-8-4-3-5-9-21/h3-10,17-18H,11-16H2,1-2H3,(H,26,29)
InChIKeyTZNCJPUNTAUOTQ-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.52
Rot. Bonds7

About 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide

5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide (PubChem CID 7347913) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
PubChem CID7347913
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c(C)n2-c2ccccc2)c1
InChIInChI=1S/C25H29N3O3/c1-19-23(25(29)26-11-12-27-13-15-31-16-14-27)18-24(20-7-6-10-22(17-20)30-2)28(19)21-8-4-3-5-9-21/h3-10,17-18H,11-16H2,1-2H3,(H,26,29)
InChIKeyTZNCJPUNTAUOTQ-UHFFFAOYSA-N
XLogP3.52
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 42665947
1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
CID 7212347
4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59186275

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide (CID 7347913) is 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide is COc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c(C)n2-c2ccccc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The InChIKey is TZNCJPUNTAUOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-23(25(29)26-11-12-27-13-15-31-16-14-27)18-24(20-7-6-10-22(17-20)30-2)28(19)21-8-4-3-5-9-21/h3-10,17-18H,11-16H2,1-2H3,(H,26,29).
What are the key properties of 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7347913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).