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

C19H23N3O — CID 109240141

IUPAC2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
SMILESCCCCCNc1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H23N3O/c1-2-3-6-10-21-17-12-16(13-20-14-17)19(23)22-11-9-15-7-4-5-8-18(15)22/h4-5,7-8,12-14,21H,2-3,6,9-11H2,1H3
InChIKeyWGGAOSKKGMPWRO-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.89
Rot. Bonds6

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

2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone (PubChem CID 109240141) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
PubChem CID109240141
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
SMILESCCCCCNc1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H23N3O/c1-2-3-6-10-21-17-12-16(13-20-14-17)19(23)22-11-9-15-7-4-5-8-18(15)22/h4-5,7-8,12-14,21H,2-3,6,9-11H2,1H3
InChIKeyWGGAOSKKGMPWRO-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229964
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
3,4-dihydro-2H-quinolin-1-yl-[5-(3-phenylpropylamino)-3-pyridinyl]methanone
CID 109239100
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
2,3-dihydroindol-1-yl-[5-(dipropylamino)-3-pyridinyl]methanone
CID 109241027
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
CID 109333320

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone (CID 109240141) is 2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone is CCCCCNc1cncc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone?
The InChIKey is WGGAOSKKGMPWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-3-6-10-21-17-12-16(13-20-14-17)19(23)22-11-9-15-7-4-5-8-18(15)22/h4-5,7-8,12-14,21H,2-3,6,9-11H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.89, 6 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-(pentylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109240141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).