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

C26H27N3O — CID 67697765

IUPAC2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
SMILESCc1[nH]c2ccc(C(C)C)c(Cc3ccccc3)c2c1CC(=O)Nc1ccncc1
InChIInChI=1S/C26H27N3O/c1-17(2)21-9-10-24-26(23(21)15-19-7-5-4-6-8-19)22(18(3)28-24)16-25(30)29-20-11-13-27-14-12-20/h4-14,17,28H,15-16H2,1-3H3,(H,27,29,30)
InChIKeyHIOCJNIUFSGSHN-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.77
Rot. Bonds6

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

2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide (PubChem CID 67697765) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
PubChem CID67697765
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
SMILESCc1[nH]c2ccc(C(C)C)c(Cc3ccccc3)c2c1CC(=O)Nc1ccncc1
InChIInChI=1S/C26H27N3O/c1-17(2)21-9-10-24-26(23(21)15-19-7-5-4-6-8-19)22(18(3)28-24)16-25(30)29-20-11-13-27-14-12-20/h4-14,17,28H,15-16H2,1-3H3,(H,27,29,30)
InChIKeyHIOCJNIUFSGSHN-UHFFFAOYSA-N
XLogP5.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
3-(2-benzyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylpropanamide
CID 67696984
N,2-dipyridin-4-ylacetamide
CID 110468100
2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide
CID 67696692
2-naphthalen-2-yl-N-pyridin-4-ylacetamide
CID 25336159
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide
CID 142086189
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
CID 3655714
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-phenylphenyl)acetamide
CID 9319157
methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 70166553
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide (CID 67697765) is 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide is Cc1[nH]c2ccc(C(C)C)c(Cc3ccccc3)c2c1CC(=O)Nc1ccncc1.
What is the InChIKey of 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide?
The InChIKey is HIOCJNIUFSGSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-17(2)21-9-10-24-26(23(21)15-19-7-5-4-6-8-19)22(18(3)28-24)16-25(30)29-20-11-13-27-14-12-20/h4-14,17,28H,15-16H2,1-3H3,(H,27,29,30).
What are the key properties of 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide?
2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide has a molecular weight of 397.52 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-methyl-5-propan-2-yl-1H-indol-3-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 67697765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).