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

C25H23N3O2 — CID 42665715

IUPAC1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCc2ccccn2)c1C
InChIInChI=1S/C25H23N3O2/c1-18-21(25(29)27-17-20-12-8-9-15-26-20)16-23(19-10-4-3-5-11-19)28(18)22-13-6-7-14-24(22)30-2/h3-16H,17H2,1-2H3,(H,27,29)
InChIKeyLTOVUJHAYVVRAH-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.79
Rot. Bonds6

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

1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 42665715) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID42665715
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCc2ccccn2)c1C
InChIInChI=1S/C25H23N3O2/c1-18-21(25(29)27-17-20-12-8-9-15-26-20)16-23(19-10-4-3-5-11-19)28(18)22-13-6-7-14-24(22)30-2/h3-16H,17H2,1-2H3,(H,27,29)
InChIKeyLTOVUJHAYVVRAH-UHFFFAOYSA-N
XLogP4.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.79
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

N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
CID 7212347
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7230397
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 46126484
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 42665715) is 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is COc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCc2ccccn2)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is LTOVUJHAYVVRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-18-21(25(29)27-17-20-12-8-9-15-26-20)16-23(19-10-4-3-5-11-19)28(18)22-13-6-7-14-24(22)30-2/h3-16H,17H2,1-2H3,(H,27,29).
What are the key properties of 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 42665715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).