1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide

C26H25N3O2 — CID 7212347

IUPAC1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(-c3ccccc3)cc(C(=O)NCCc3ccccn3)c2C)c1
InChIInChI=1S/C26H25N3O2/c1-19-24(26(30)28-16-14-21-11-6-7-15-27-21)18-25(20-9-4-3-5-10-20)29(19)22-12-8-13-23(17-22)31-2/h3-13,15,17-18H,14,16H2,1-2H3,(H,28,30)
InChIKeyVIUVRGLMPDNVPM-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.83
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide

1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide (PubChem CID 7212347) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
PubChem CID7212347
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(-c3ccccc3)cc(C(=O)NCCc3ccccn3)c2C)c1
InChIInChI=1S/C26H25N3O2/c1-19-24(26(30)28-16-14-21-11-6-7-15-27-21)18-25(20-9-4-3-5-10-20)29(19)22-12-8-13-23(17-22)31-2/h3-13,15,17-18H,14,16H2,1-2H3,(H,28,30)
InChIKeyVIUVRGLMPDNVPM-UHFFFAOYSA-N
XLogP4.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 42665715
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
3-methoxy-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111193916
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3348957
5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
CID 7231138
1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46171104
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 42665947

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide (CID 7212347) is 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide is COc1cccc(-n2c(-c3ccccc3)cc(C(=O)NCCc3ccccn3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide?
The InChIKey is VIUVRGLMPDNVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-19-24(26(30)28-16-14-21-11-6-7-15-27-21)18-25(20-9-4-3-5-10-20)29(19)22-12-8-13-23(17-22)31-2/h3-13,15,17-18H,14,16H2,1-2H3,(H,28,30).
What are the key properties of 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide?
1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 7212347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).