1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide

C23H21N3O — CID 31941346

IUPAC1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H21N3O/c27-23(25-15-13-19-10-6-7-14-24-19)21-17-26(16-18-8-2-1-3-9-18)22-12-5-4-11-20(21)22/h1-12,14,17H,13,15-16H2,(H,25,27)
InChIKeyLUIOSEPEMGTALM-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.06
Rot. Bonds6

About 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide

1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide (PubChem CID 31941346) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
PubChem CID31941346
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H21N3O/c27-23(25-15-13-19-10-6-7-14-24-19)21-17-26(16-18-8-2-1-3-9-18)22-12-5-4-11-20(21)22/h1-12,14,17H,13,15-16H2,(H,25,27)
InChIKeyLUIOSEPEMGTALM-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid
CID 175130499
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 174999219
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5003122
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 146910491
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide
CID 71700597
3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488623
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide (CID 31941346) is 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide is O=C(NCCc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide?
The InChIKey is LUIOSEPEMGTALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c27-23(25-15-13-19-10-6-7-14-24-19)21-17-26(16-18-8-2-1-3-9-18)22-12-5-4-11-20(21)22/h1-12,14,17H,13,15-16H2,(H,25,27).
What are the key properties of 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide?
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide is sourced from PubChem (CID 31941346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).