2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile

C16H15ClN4 — CID 107061267

IUPAC2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC(CCN)c3ccccc32)c1Cl
InChIInChI=1S/C16H15ClN4/c17-15-11(9-19)6-8-20-16(15)21-10-12(5-7-18)13-3-1-2-4-14(13)21/h1-4,6,8,12H,5,7,10,18H2
InChIKeyGUIMTMPWHGMZCY-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.19
Rot. Bonds3

About 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile (PubChem CID 107061267) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile
PubChem CID107061267
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC(CCN)c3ccccc32)c1Cl
InChIInChI=1S/C16H15ClN4/c17-15-11(9-19)6-8-20-16(15)21-10-12(5-7-18)13-3-1-2-4-14(13)21/h1-4,6,8,12H,5,7,10,18H2
InChIKeyGUIMTMPWHGMZCY-UHFFFAOYSA-N
XLogP3.19
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile (CID 107061267) is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(N2CC(CCN)c3ccccc32)c1Cl.
What is the InChIKey of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile?
The InChIKey is GUIMTMPWHGMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-15-11(9-19)6-8-20-16(15)21-10-12(5-7-18)13-3-1-2-4-14(13)21/h1-4,6,8,12H,5,7,10,18H2.
What are the key properties of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile?
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile has a molecular weight of 298.78 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).