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

C15H15N3O — CID 104639992

IUPAC2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCc3ccccc32)nc1
InChIInChI=1S/C15H15N3O/c1-16-12-6-7-13(17-10-12)15(19)18-9-8-11-4-2-3-5-14(11)18/h2-7,10,16H,8-9H2,1H3
InChIKeyIDHBJNBCXOKEHY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.33
Rot. Bonds2

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

2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone (PubChem CID 104639992) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
PubChem CID104639992
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCc3ccccc32)nc1
InChIInChI=1S/C15H15N3O/c1-16-12-6-7-13(17-10-12)15(19)18-9-8-11-4-2-3-5-14(11)18/h2-7,10,16H,8-9H2,1H3
InChIKeyIDHBJNBCXOKEHY-UHFFFAOYSA-N
XLogP2.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone
CID 109185537
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
CID 109197743
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
[5-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 104639658
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109197752

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone (CID 104639992) is 2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone is CNc1ccc(C(=O)N2CCc3ccccc32)nc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone?
The InChIKey is IDHBJNBCXOKEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-16-12-6-7-13(17-10-12)15(19)18-9-8-11-4-2-3-5-14(11)18/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone has a molecular weight of 253.31 g/mol, XLogP of 2.33, 2 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-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104639992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).