2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide

C26H27N3O — CID 10157671

IUPAC2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H27N3O/c1-20(2)29(18-22-12-14-27-15-13-22)26(30)16-23-19-28(17-21-8-4-3-5-9-21)25-11-7-6-10-24(23)25/h3-15,19-20H,16-18H2,1-2H3
InChIKeyPVUUYPCLIQUERF-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.06
Rot. Bonds7

About 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide

2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 10157671) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID10157671
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H27N3O/c1-20(2)29(18-22-12-14-27-15-13-22)26(30)16-23-19-28(17-21-8-4-3-5-9-21)25-11-7-6-10-24(23)25/h3-15,19-20H,16-18H2,1-2H3
InChIKeyPVUUYPCLIQUERF-UHFFFAOYSA-N
XLogP5.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-bromophenyl)methyl]indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
CID 10116426
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
1-(1-benzylindol-3-yl)-4-ethylsulfinylpentan-3-one
CID 71397780
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
N-benzyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30558914
N-benzyl-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30559684
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide (CID 10157671) is 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide is CC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PVUUYPCLIQUERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-20(2)29(18-22-12-14-27-15-13-22)26(30)16-23-19-28(17-21-8-4-3-5-9-21)25-11-7-6-10-24(23)25/h3-15,19-20H,16-18H2,1-2H3.
What are the key properties of 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 10157671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).