3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide

C25H27N3O2 — CID 11852066

IUPAC3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)nc2)cc1
InChIInChI=1S/C25H27N3O2/c1-25(2,3)20-10-7-17(8-11-20)9-14-23(29)28-21-12-13-22(27-16-21)18-5-4-6-19(15-18)24(26)30/h4-8,10-13,15-16H,9,14H2,1-3H3,(H2,26,30)(H,28,29)
InChIKeyGDSFMKLNQODMIC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.72
Rot. Bonds6

About 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide

3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide (PubChem CID 11852066) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide
PubChem CID11852066
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)nc2)cc1
InChIInChI=1S/C25H27N3O2/c1-25(2,3)20-10-7-17(8-11-20)9-14-23(29)28-21-12-13-22(27-16-21)18-5-4-6-19(15-18)24(26)30/h4-8,10-13,15-16H,9,14H2,1-3H3,(H2,26,30)(H,28,29)
InChIKeyGDSFMKLNQODMIC-UHFFFAOYSA-N
XLogP4.72
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[3-(4-tert-butylphenyl)propanoylamino]-3-(hydroxymethyl)phenyl]benzamide
CID 11851752
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
CID 56517357
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040
2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide
CID 137353022
3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide
CID 11851550
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide?
The IUPAC name of 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide (CID 11852066) is 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)nc2)cc1.
What is the InChIKey of 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide?
The InChIKey is GDSFMKLNQODMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-25(2,3)20-10-7-17(8-11-20)9-14-23(29)28-21-12-13-22(27-16-21)18-5-4-6-19(15-18)24(26)30/h4-8,10-13,15-16H,9,14H2,1-3H3,(H2,26,30)(H,28,29).
What are the key properties of 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide?
3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 11852066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).