1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide

C23H23N3O — CID 166227368

IUPAC1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide
SMILESCN1CCc2cc(C(=O)NC(Cc3ccccn3)c3ccccc3)ccc21
InChIInChI=1S/C23H23N3O/c1-26-14-12-18-15-19(10-11-22(18)26)23(27)25-21(17-7-3-2-4-8-17)16-20-9-5-6-13-24-20/h2-11,13,15,21H,12,14,16H2,1H3,(H,25,27)
InChIKeyUPDFIULTGDXPKF-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.79
Rot. Bonds5

About 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide

1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 166227368) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide
PubChem CID166227368
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide
SMILESCN1CCc2cc(C(=O)NC(Cc3ccccn3)c3ccccc3)ccc21
InChIInChI=1S/C23H23N3O/c1-26-14-12-18-15-19(10-11-22(18)26)23(27)25-21(17-7-3-2-4-8-17)16-20-9-5-6-13-24-20/h2-11,13,15,21H,12,14,16H2,1H3,(H,25,27)
InChIKeyUPDFIULTGDXPKF-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 124872713
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide
CID 71109938
1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide
CID 86817217
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 110485474
N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52539552
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 91788033
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 129358685

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide (CID 166227368) is 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide is CN1CCc2cc(C(=O)NC(Cc3ccccn3)c3ccccc3)ccc21.
What is the InChIKey of 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is UPDFIULTGDXPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-26-14-12-18-15-19(10-11-22(18)26)23(27)25-21(17-7-3-2-4-8-17)16-20-9-5-6-13-24-20/h2-11,13,15,21H,12,14,16H2,1H3,(H,25,27).
What are the key properties of 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide?
1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 166227368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).