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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Related Compounds

2-amino-6-morpholin-4-yl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 14832727
5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile
CID 59338811
3-amino-6-morpholin-4-ylthieno[2,3-b]pyridine-2,5-dicarbonitrile
CID 135077711
(E)-but-2-enedioic acid;6-methyl-2-morpholin-4-yl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70106086
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine
CID 139225833
4-(6-methyl-2-morpholin-4-yl-5-nitro-3-pyridinyl)benzonitrile
CID 118142109
5-amino-2,4-dimethyl-7-morpholin-4-yl-1,6-naphthyridine-8-carbonitrile
CID 102145611
4-[2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidin-4-yl]morpholine
CID 139219737
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine
CID 6405046
N-[4-(4-chlorophenyl)-5-cyano-6-morpholin-4-ylpyrimidin-2-yl]benzenesulfonamide
CID 172913807

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).