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

C22H21N3O — CID 109213671

IUPAC2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
SMILESO=C(c1cc(NCCc2ccccc2)ccn1)N1CCc2ccccc21
InChIInChI=1S/C22H21N3O/c26-22(25-15-12-18-8-4-5-9-21(18)25)20-16-19(11-14-24-20)23-13-10-17-6-2-1-3-7-17/h1-9,11,14,16H,10,12-13,15H2,(H,23,24)
InChIKeySQJXNKSKJCKRDQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.94
Rot. Bonds5

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

2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone (PubChem CID 109213671) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
PubChem CID109213671
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
SMILESO=C(c1cc(NCCc2ccccc2)ccn1)N1CCc2ccccc21
InChIInChI=1S/C22H21N3O/c26-22(25-15-12-18-8-4-5-9-21(18)25)20-16-19(11-14-24-20)23-13-10-17-6-2-1-3-7-17/h1-9,11,14,16H,10,12-13,15H2,(H,23,24)
InChIKeySQJXNKSKJCKRDQ-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214592
2-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109087717
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
2,3-dihydroindol-1-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209514
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089033
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone (CID 109213671) is 2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone is O=C(c1cc(NCCc2ccccc2)ccn1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone?
The InChIKey is SQJXNKSKJCKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c26-22(25-15-12-18-8-4-5-9-21(18)25)20-16-19(11-14-24-20)23-13-10-17-6-2-1-3-7-17/h1-9,11,14,16H,10,12-13,15H2,(H,23,24).
What are the key properties of 2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone has a molecular weight of 343.43 g/mol, XLogP of 3.94, 5 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-[4-(2-phenylethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109213671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).