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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Related Compounds

2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 156805975
2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
CID 166933390
[6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 150036652
3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 149049851
2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 156806027
2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 155089411
5-(2,3-dichlorophenyl)-6-methyl-2-(3-oxospiro[1H-indene-2,4'-piperidine]-1'-yl)pyrimidine-4-carbonitrile
CID 155089463
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5166897
tert-butyl N-[1-[4-cyano-5-(2,3-dichlorophenyl)-6-methylpyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 155089509
2-[(3R,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089393
2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255832

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).