(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone

C23H23N3O — CID 109210859

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
SMILESCC(Nc1ccnc(C(=O)N2c3ccccc3CC2C)c1)c1ccccc1
InChIInChI=1S/C23H23N3O/c1-16-14-19-10-6-7-11-22(19)26(16)23(27)21-15-20(12-13-24-21)25-17(2)18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3,(H,24,25)
InChIKeyYEKHSVDGUIXJJO-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.85
Rot. Bonds4

About (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone (PubChem CID 109210859) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
PubChem CID109210859
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
SMILESCC(Nc1ccnc(C(=O)N2c3ccccc3CC2C)c1)c1ccccc1
InChIInChI=1S/C23H23N3O/c1-16-14-19-10-6-7-11-22(19)26(16)23(27)21-15-20(12-13-24-21)25-17(2)18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3,(H,24,25)
InChIKeyYEKHSVDGUIXJJO-UHFFFAOYSA-N
XLogP4.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109086077
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217477
[4-(cycloheptylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217194
(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109222608
[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222586
[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222011
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296868
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210790
N-ethyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109092353
(5-anilino-2-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109197131

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone (CID 109210859) is (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone is CC(Nc1ccnc(C(=O)N2c3ccccc3CC2C)c1)c1ccccc1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone?
The InChIKey is YEKHSVDGUIXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-14-19-10-6-7-11-22(19)26(16)23(27)21-15-20(12-13-24-21)25-17(2)18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3,(H,24,25).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone has a molecular weight of 357.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109210859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).