3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide

C26H27N3O — CID 67696984

IUPAC3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide
SMILESCC(C)c1ccc2[nH]c(Cc3ccccc3)c(CCC(=O)Nc3ccncc3)c2c1
InChIInChI=1S/C26H27N3O/c1-18(2)20-8-10-24-23(17-20)22(25(29-24)16-19-6-4-3-5-7-19)9-11-26(30)28-21-12-14-27-15-13-21/h3-8,10,12-15,17-18,29H,9,11,16H2,1-2H3,(H,27,28,30)
InChIKeyYFICVJDKSBRFIU-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.85
Rot. Bonds7

About 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide

3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide (PubChem CID 67696984) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide
PubChem CID67696984
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide
SMILESCC(C)c1ccc2[nH]c(Cc3ccccc3)c(CCC(=O)Nc3ccncc3)c2c1
InChIInChI=1S/C26H27N3O/c1-18(2)20-8-10-24-23(17-20)22(25(29-24)16-19-6-4-3-5-7-19)9-11-26(30)28-21-12-14-27-15-13-21/h3-8,10,12-15,17-18,29H,9,11,16H2,1-2H3,(H,27,28,30)
InChIKeyYFICVJDKSBRFIU-UHFFFAOYSA-N
XLogP5.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide
CID 67696692
2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 67697765
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
4-(5-propan-2-yl-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid
CID 4702170
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685607
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109030939
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 46692783

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide (CID 67696984) is 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide is CC(C)c1ccc2[nH]c(Cc3ccccc3)c(CCC(=O)Nc3ccncc3)c2c1.
What is the InChIKey of 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide?
The InChIKey is YFICVJDKSBRFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-18(2)20-8-10-24-23(17-20)22(25(29-24)16-19-6-4-3-5-7-19)9-11-26(30)28-21-12-14-27-15-13-21/h3-8,10,12-15,17-18,29H,9,11,16H2,1-2H3,(H,27,28,30).
What are the key properties of 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide?
3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide has a molecular weight of 397.52 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 67696984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).