2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide

C25H29N3O2 — CID 2742727

IUPAC2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cc(-c2ccccc2)n1CCCN1CCOCC1
InChIInChI=1S/C25H29N3O2/c1-20-23(25(29)26-22-11-6-3-7-12-22)19-24(21-9-4-2-5-10-21)28(20)14-8-13-27-15-17-30-18-16-27/h2-7,9-12,19H,8,13-18H2,1H3,(H,26,29)
InChIKeyZMJGZFHHWVBRPQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.44
Rot. Bonds7

About 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide

2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide (PubChem CID 2742727) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide
PubChem CID2742727
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cc(-c2ccccc2)n1CCCN1CCOCC1
InChIInChI=1S/C25H29N3O2/c1-20-23(25(29)26-22-11-6-3-7-12-22)19-24(21-9-4-2-5-10-21)28(20)14-8-13-27-15-17-30-18-16-27/h2-7,9-12,19H,8,13-18H2,1H3,(H,26,29)
InChIKeyZMJGZFHHWVBRPQ-UHFFFAOYSA-N
XLogP4.44
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide (CID 2742727) is 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccccc2)cc(-c2ccccc2)n1CCCN1CCOCC1.
What is the InChIKey of 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide?
The InChIKey is ZMJGZFHHWVBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-20-23(25(29)26-22-11-6-3-7-12-22)19-24(21-9-4-2-5-10-21)28(20)14-8-13-27-15-17-30-18-16-27/h2-7,9-12,19H,8,13-18H2,1H3,(H,26,29).
What are the key properties of 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide?
2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-morpholin-4-ylpropyl)-N,5-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 2742727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).