1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide

C25H25N3O — CID 77090295

IUPAC1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(CCc3ccccc3)Cc3ccccn3)n(C)c2c1
InChIInChI=1S/C25H25N3O/c1-19-11-12-21-17-24(27(2)23(21)16-19)25(29)28(18-22-10-6-7-14-26-22)15-13-20-8-4-3-5-9-20/h3-12,14,16-17H,13,15,18H2,1-2H3
InChIKeyJFMCMZASRXVZFT-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.77
Rot. Bonds6

About 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide

1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide (PubChem CID 77090295) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
PubChem CID77090295
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(CCc3ccccc3)Cc3ccccn3)n(C)c2c1
InChIInChI=1S/C25H25N3O/c1-19-11-12-21-17-24(27(2)23(21)16-19)25(29)28(18-22-10-6-7-14-26-22)15-13-20-8-4-3-5-9-20/h3-12,14,16-17H,13,15,18H2,1-2H3
InChIKeyJFMCMZASRXVZFT-UHFFFAOYSA-N
XLogP4.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42162824
2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 131892392
4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
methyl 3-[benzyl-(1-methylindole-2-carbonyl)amino]propanoate
CID 55870706
N-benzyl-2,4-dioxo-N-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026531
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 144884135
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide (CID 77090295) is 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide is Cc1ccc2cc(C(=O)N(CCc3ccccc3)Cc3ccccn3)n(C)c2c1.
What is the InChIKey of 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The InChIKey is JFMCMZASRXVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-19-11-12-21-17-24(27(2)23(21)16-19)25(29)28(18-22-10-6-7-14-26-22)15-13-20-8-4-3-5-9-20/h3-12,14,16-17H,13,15,18H2,1-2H3.
What are the key properties of 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 77090295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).