4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide

C20H21N3O — CID 24639260

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NC(C)c2ccncc2)cc1
InChIInChI=1S/C20H21N3O/c1-14-4-5-15(2)23(14)19-8-6-18(7-9-19)20(24)22-16(3)17-10-12-21-13-11-17/h4-13,16H,1-3H3,(H,22,24)
InChIKeyYOYAEFUUSZWDEZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.98
Rot. Bonds4

About 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide

4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 24639260) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID24639260
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NC(C)c2ccncc2)cc1
InChIInChI=1S/C20H21N3O/c1-14-4-5-15(2)23(14)19-8-6-18(7-9-19)20(24)22-16(3)17-10-12-21-13-11-17/h4-13,16H,1-3H3,(H,22,24)
InChIKeyYOYAEFUUSZWDEZ-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 103891609
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27232734
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide (CID 24639260) is 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide is Cc1ccc(C)n1-c1ccc(C(=O)NC(C)c2ccncc2)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is YOYAEFUUSZWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-4-5-15(2)23(14)19-8-6-18(7-9-19)20(24)22-16(3)17-10-12-21-13-11-17/h4-13,16H,1-3H3,(H,22,24).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 24639260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).