6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile

C16H15ClN4O — CID 45028993

IUPAC6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(N)nc1N1CCOCC1
InChIInChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)14-9-12(10-18)16(20-15(14)19)21-5-7-22-8-6-21/h1-4,9H,5-8H2,(H2,19,20)
InChIKeyYQPDKOSWVQERSK-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.69
Rot. Bonds2

About 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile

6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 45028993) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID45028993
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(N)nc1N1CCOCC1
InChIInChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)14-9-12(10-18)16(20-15(14)19)21-5-7-22-8-6-21/h1-4,9H,5-8H2,(H2,19,20)
InChIKeyYQPDKOSWVQERSK-UHFFFAOYSA-N
XLogP2.69
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile (CID 45028993) is 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(N)nc1N1CCOCC1.
What is the InChIKey of 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is YQPDKOSWVQERSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)14-9-12(10-18)16(20-15(14)19)21-5-7-22-8-6-21/h1-4,9H,5-8H2,(H2,19,20).
What are the key properties of 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile?
6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 314.78 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 45028993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).