2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one

C22H21N3O — CID 76587033

IUPAC2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C22H21N3O/c23-20(14-16-4-2-1-3-5-16)22(26)25-13-10-19-15-18(6-7-21(19)25)17-8-11-24-12-9-17/h1-9,11-12,15,20H,10,13-14,23H2
InChIKeyOTQCXVKVIYVTOI-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.21
Rot. Bonds4

About 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one

2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 76587033) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID76587033
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C22H21N3O/c23-20(14-16-4-2-1-3-5-16)22(26)25-13-10-19-15-18(6-7-21(19)25)17-8-11-24-12-9-17/h1-9,11-12,15,20H,10,13-14,23H2
InChIKeyOTQCXVKVIYVTOI-UHFFFAOYSA-N
XLogP3.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

tert-butyl-[(2R)-1-oxo-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-2-yl]carbamic acid
CID 69077584
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylate
CID 67496361
benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate
CID 91624775
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 24710591
(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91624751
1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110417579
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylate;methyl 1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylate
CID 158379154
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91624748
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one (CID 76587033) is 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one is NC(Cc1ccccc1)C(=O)N1CCc2cc(-c3ccncc3)ccc21.
What is the InChIKey of 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is OTQCXVKVIYVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c23-20(14-16-4-2-1-3-5-16)22(26)25-13-10-19-15-18(6-7-21(19)25)17-8-11-24-12-9-17/h1-9,11-12,15,20H,10,13-14,23H2.
What are the key properties of 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one?
2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 76587033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).