2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

C23H21N3O — CID 46589587

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H21N3O/c1-16-19(18-11-5-6-12-20(18)25-16)15-22(27)26-23(17-9-3-2-4-10-17)21-13-7-8-14-24-21/h2-14,23,25H,15H2,1H3,(H,26,27)
InChIKeyVFCRNLXMFLJQGH-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 46589587) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID46589587
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H21N3O/c1-16-19(18-11-5-6-12-20(18)25-16)15-22(27)26-23(17-9-3-2-4-10-17)21-13-7-8-14-24-21/h2-14,23,25H,15H2,1H3,(H,26,27)
InChIKeyVFCRNLXMFLJQGH-UHFFFAOYSA-N
XLogP4.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.32
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

2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 24509475
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 46589610
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86285330
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (CID 46589587) is 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is VFCRNLXMFLJQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-19(18-11-5-6-12-20(18)25-16)15-22(27)26-23(17-9-3-2-4-10-17)21-13-7-8-14-24-21/h2-14,23,25H,15H2,1H3,(H,26,27).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 46589587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).