2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone

C23H23N3O — CID 109197743

IUPAC2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)N2CCc3ccccc32)nc1
InChIInChI=1S/C23H23N3O/c1-16(2)19-8-4-5-9-20(19)25-18-11-12-21(24-15-18)23(27)26-14-13-17-7-3-6-10-22(17)26/h3-12,15-16,25H,13-14H2,1-2H3
InChIKeyZJTOIJWXWVXUIE-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.15
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone (PubChem CID 109197743) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
PubChem CID109197743
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)N2CCc3ccccc32)nc1
InChIInChI=1S/C23H23N3O/c1-16(2)19-8-4-5-9-20(19)25-18-11-12-21(24-15-18)23(27)26-14-13-17-7-3-6-10-22(17)26/h3-12,15-16,25H,13-14H2,1-2H3
InChIKeyZJTOIJWXWVXUIE-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109290407
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109356603
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 112848714
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109197752
3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
CID 109197873
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
4-[5-(2-propan-2-ylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186985

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone (CID 109197743) is 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone is CC(C)c1ccccc1Nc1ccc(C(=O)N2CCc3ccccc32)nc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone?
The InChIKey is ZJTOIJWXWVXUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16(2)19-8-4-5-9-20(19)25-18-11-12-21(24-15-18)23(27)26-14-13-17-7-3-6-10-22(17)26/h3-12,15-16,25H,13-14H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone has a molecular weight of 357.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109197743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).