2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile

C17H18N4 — CID 34058875

IUPAC2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCCN1CCc2ccccc21
InChIInChI=1S/C17H18N4/c18-13-15-6-3-9-19-17(15)20-10-4-11-21-12-8-14-5-1-2-7-16(14)21/h1-3,5-7,9H,4,8,10-12H2,(H,19,20)
InChIKeyQRRVVDQTWGKNFA-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.82
Rot. Bonds5

About 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile

2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile (PubChem CID 34058875) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile
PubChem CID34058875
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCCN1CCc2ccccc21
InChIInChI=1S/C17H18N4/c18-13-15-6-3-9-19-17(15)20-10-4-11-21-12-8-14-5-1-2-7-16(14)21/h1-3,5-7,9H,4,8,10-12H2,(H,19,20)
InChIKeyQRRVVDQTWGKNFA-UHFFFAOYSA-N
XLogP2.82
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile (CID 34058875) is 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCCCN1CCc2ccccc21.
What is the InChIKey of 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile?
The InChIKey is QRRVVDQTWGKNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-13-15-6-3-9-19-17(15)20-10-4-11-21-12-8-14-5-1-2-7-16(14)21/h1-3,5-7,9H,4,8,10-12H2,(H,19,20).
What are the key properties of 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile?
2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 34058875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).