2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide

C25H23N3O — CID 158622069

IUPAC2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCc1ccccc1C1=CC(c2ccccc2C(=O)NCCc2ccccn2)=NC1
InChIInChI=1S/C25H23N3O/c1-18-8-2-3-10-21(18)19-16-24(28-17-19)22-11-4-5-12-23(22)25(29)27-15-13-20-9-6-7-14-26-20/h2-12,14,16H,13,15,17H2,1H3,(H,27,29)
InChIKeyHYCXTEVBEVRGOK-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.25
Rot. Bonds6

About 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide

2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 158622069) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID158622069
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCc1ccccc1C1=CC(c2ccccc2C(=O)NCCc2ccccn2)=NC1
InChIInChI=1S/C25H23N3O/c1-18-8-2-3-10-21(18)19-16-24(28-17-19)22-11-4-5-12-23(22)25(29)27-15-13-20-9-6-7-14-26-20/h2-12,14,16H,13,15,17H2,1H3,(H,27,29)
InChIKeyHYCXTEVBEVRGOK-UHFFFAOYSA-N
XLogP4.25
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
2-methyl-N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]benzamide
CID 134008685
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide
CID 159838875
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 37002386
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 135138660
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207
2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
CID 10158321
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide (CID 158622069) is 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide is Cc1ccccc1C1=CC(c2ccccc2C(=O)NCCc2ccccn2)=NC1.
What is the InChIKey of 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is HYCXTEVBEVRGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-8-2-3-10-21(18)19-16-24(28-17-19)22-11-4-5-12-23(22)25(29)27-15-13-20-9-6-7-14-26-20/h2-12,14,16H,13,15,17H2,1H3,(H,27,29).
What are the key properties of 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-2H-pyrrol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 158622069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).