2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine

C16H17N3 — CID 138750468

IUPAC2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESc1ccc2c(c1)CCN2c1ccc2c(n1)CCNC2
InChIInChI=1S/C16H17N3/c1-2-4-15-12(3-1)8-10-19(15)16-6-5-13-11-17-9-7-14(13)18-16/h1-6,17H,7-11H2
InChIKeyJAFWGYIHVNQRQC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine

2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 138750468) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID138750468
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESc1ccc2c(c1)CCN2c1ccc2c(n1)CCNC2
InChIInChI=1S/C16H17N3/c1-2-4-15-12(3-1)8-10-19(15)16-6-5-13-11-17-9-7-14(13)18-16/h1-6,17H,7-11H2
InChIKeyJAFWGYIHVNQRQC-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 138750468) is 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine is c1ccc2c(c1)CCN2c1ccc2c(n1)CCNC2.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is JAFWGYIHVNQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-4-15-12(3-1)8-10-19(15)16-6-5-13-11-17-9-7-14(13)18-16/h1-6,17H,7-11H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 251.33 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 138750468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).