4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide

C25H27N3O2 — CID 159445307

IUPAC4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)c1ccccc1CCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18(2)23-8-4-3-7-20(23)11-14-24(29)28-22-12-9-21(10-13-22)25(30)27-17-19-6-5-15-26-16-19/h3-10,12-13,15-16,18H,11,14,17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyLSRNZGCJJRXFOK-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.71
Rot. Bonds8

About 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide

4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 159445307) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID159445307
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)c1ccccc1CCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18(2)23-8-4-3-7-20(23)11-14-24(29)28-22-12-9-21(10-13-22)25(30)27-17-19-6-5-15-26-16-19/h3-10,12-13,15-16,18H,11,14,17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyLSRNZGCJJRXFOK-UHFFFAOYSA-N
XLogP4.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823265
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108500421
N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925738
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 159445307) is 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide is CC(C)c1ccccc1CCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LSRNZGCJJRXFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18(2)23-8-4-3-7-20(23)11-14-24(29)28-22-12-9-21(10-13-22)25(30)27-17-19-6-5-15-26-16-19/h3-10,12-13,15-16,18H,11,14,17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide?
4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 159445307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).