2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide

C26H26BrN3O — CID 10116426

IUPAC2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2cccc(Br)c2)c2ccccc12
InChIInChI=1S/C26H26BrN3O/c1-19(2)30(17-20-10-12-28-13-11-20)26(31)15-22-18-29(25-9-4-3-8-24(22)25)16-21-6-5-7-23(27)14-21/h3-14,18-19H,15-17H2,1-2H3
InChIKeyGICYYXCYLFAMOP-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.83
Rot. Bonds7

About 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide

2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 10116426) has the molecular formula C26H26BrN3O and a molecular weight of 476.42 g/mol. Its IUPAC name is 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID10116426
Molecular FormulaC26H26BrN3O
Molecular Weight476.42 g/mol
Exact Mass475.13
IUPAC Name2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2cccc(Br)c2)c2ccccc12
InChIInChI=1S/C26H26BrN3O/c1-19(2)30(17-20-10-12-28-13-11-20)26(31)15-22-18-29(25-9-4-3-8-24(22)25)16-21-6-5-7-23(27)14-21/h3-14,18-19H,15-17H2,1-2H3
InChIKeyGICYYXCYLFAMOP-UHFFFAOYSA-N
XLogP5.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
CID 10157671
2-[1-[(3-bromophenyl)methyl]indol-3-yl]acetic acid
CID 28599779
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899803
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
CID 104801202
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide
CID 129381110
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965721
N-benzyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30558914

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide (CID 10116426) is 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide is CC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2cccc(Br)c2)c2ccccc12.
What is the InChIKey of 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is GICYYXCYLFAMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O/c1-19(2)30(17-20-10-12-28-13-11-20)26(31)15-22-18-29(25-9-4-3-8-24(22)25)16-21-6-5-7-23(27)14-21/h3-14,18-19H,15-17H2,1-2H3.
What are the key properties of 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 476.42 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 10116426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).