6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile

C19H18Cl2N4 — CID 166658441

IUPAC6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile
SMILESCc1c(N2CC3C(N)C3C2)nc(C#N)c(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C19H18Cl2N4/c1-9-10(2)19(25-7-12-13(8-25)18(12)23)24-15(6-22)16(9)11-4-3-5-14(20)17(11)21/h3-5,12-13,18H,7-8,23H2,1-2H3
InChIKeyXDJDCBPTYKSOBQ-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.94
Rot. Bonds2

About 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile

6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile (PubChem CID 166658441) has the molecular formula C19H18Cl2N4 and a molecular weight of 373.29 g/mol. Its IUPAC name is 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile
PubChem CID166658441
Molecular FormulaC19H18Cl2N4
Molecular Weight373.29 g/mol
Exact Mass372.09
IUPAC Name6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile
SMILESCc1c(N2CC3C(N)C3C2)nc(C#N)c(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C19H18Cl2N4/c1-9-10(2)19(25-7-12-13(8-25)18(12)23)24-15(6-22)16(9)11-4-3-5-14(20)17(11)21/h3-5,12-13,18H,7-8,23H2,1-2H3
InChIKeyXDJDCBPTYKSOBQ-UHFFFAOYSA-N
XLogP3.94
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile?
The IUPAC name of 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile (CID 166658441) is 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile.
What is the SMILES notation for 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile?
The canonical SMILES for 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile is Cc1c(N2CC3C(N)C3C2)nc(C#N)c(-c2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile?
The InChIKey is XDJDCBPTYKSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4/c1-9-10(2)19(25-7-12-13(8-25)18(12)23)24-15(6-22)16(9)11-4-3-5-14(20)17(11)21/h3-5,12-13,18H,7-8,23H2,1-2H3.
What are the key properties of 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile?
6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile has a molecular weight of 373.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile is sourced from PubChem (CID 166658441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).