N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C17H18ClN3 — CID 62281360

IUPACN-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)cnc1N1CCc2ccccc21
InChIInChI=1S/C17H18ClN3/c18-15-9-12(10-19-14-5-6-14)11-20-17(15)21-8-7-13-3-1-2-4-16(13)21/h1-4,9,11,14,19H,5-8,10H2
InChIKeyJVQCFLOLHJVSPP-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.68
Rot. Bonds4

About N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62281360) has the molecular formula C17H18ClN3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62281360
Molecular FormulaC17H18ClN3
Molecular Weight299.80 g/mol
Exact Mass299.12
IUPAC NameN-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)cnc1N1CCc2ccccc21
InChIInChI=1S/C17H18ClN3/c18-15-9-12(10-19-14-5-6-14)11-20-17(15)21-8-7-13-3-1-2-4-16(13)21/h1-4,9,11,14,19H,5-8,10H2
InChIKeyJVQCFLOLHJVSPP-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62281360) is N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is Clc1cc(CNC2CC2)cnc1N1CCc2ccccc21.
What is the InChIKey of N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JVQCFLOLHJVSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c18-15-9-12(10-19-14-5-6-14)11-20-17(15)21-8-7-13-3-1-2-4-16(13)21/h1-4,9,11,14,19H,5-8,10H2.
What are the key properties of N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 299.80 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62281360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).