2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide

C27H25N3O — CID 10158321

IUPAC2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(NCCc3ccccn3)cc2)cc1
InChIInChI=1S/C27H25N3O/c1-20-9-11-21(12-10-20)25-7-2-3-8-26(25)27(31)30-24-15-13-23(14-16-24)29-19-17-22-6-4-5-18-28-22/h2-16,18,29H,17,19H2,1H3,(H,30,31)
InChIKeyLCOVAVCFFHFTIV-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.96
Rot. Bonds7

About 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide

2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide (PubChem CID 10158321) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
PubChem CID10158321
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(NCCc3ccccn3)cc2)cc1
InChIInChI=1S/C27H25N3O/c1-20-9-11-21(12-10-20)25-7-2-3-8-26(25)27(31)30-24-15-13-23(14-16-24)29-19-17-22-6-4-5-18-28-22/h2-16,18,29H,17,19H2,1H3,(H,30,31)
InChIKeyLCOVAVCFFHFTIV-UHFFFAOYSA-N
XLogP5.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[4-(2-pyridin-2-ylethylamino)phenyl]carbamoyl]phenyl]benzoic acid
CID 142663018
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 142090076
2-hydroxy-2-methyl-N-(4-methylphenyl)-4-pyridin-2-ylbutanamide
CID 58860970
N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 142090091
2-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
[4-[2-[[4-[(1-oxo-3-pyridin-2-ylpropan-2-yl)amino]phenyl]carbamoyl]phenyl]phenyl] methanesulfonate
CID 91545778
N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide
CID 91559426
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
N-[2-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 23296203

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide?
The IUPAC name of 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide (CID 10158321) is 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide is Cc1ccc(-c2ccccc2C(=O)Nc2ccc(NCCc3ccccn3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide?
The InChIKey is LCOVAVCFFHFTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-20-9-11-21(12-10-20)25-7-2-3-8-26(25)27(31)30-24-15-13-23(14-16-24)29-19-17-22-6-4-5-18-28-22/h2-16,18,29H,17,19H2,1H3,(H,30,31).
What are the key properties of 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide?
2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide has a molecular weight of 407.52 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide is sourced from PubChem (CID 10158321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).