2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile

C17H13Cl2N5O — CID 16721101

IUPAC2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCOCC2)c(C#N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2N5O/c18-12-2-1-3-13(19)15(12)14-10(8-20)16(22)23-17(11(14)9-21)24-4-6-25-7-5-24/h1-3H,4-7H2,(H2,22,23)
InChIKeyANYQIERYTIYGGT-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.22
Rot. Bonds2

About 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile

2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile (PubChem CID 16721101) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
PubChem CID16721101
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCOCC2)c(C#N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2N5O/c18-12-2-1-3-13(19)15(12)14-10(8-20)16(22)23-17(11(14)9-21)24-4-6-25-7-5-24/h1-3H,4-7H2,(H2,22,23)
InChIKeyANYQIERYTIYGGT-UHFFFAOYSA-N
XLogP3.22
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile (CID 16721101) is 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(N2CCOCC2)c(C#N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The InChIKey is ANYQIERYTIYGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c18-12-2-1-3-13(19)15(12)14-10(8-20)16(22)23-17(11(14)9-21)24-4-6-25-7-5-24/h1-3H,4-7H2,(H2,22,23).
What are the key properties of 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile has a molecular weight of 374.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 16721101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).