2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C20H21N5O3 — CID 169394698

IUPAC2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C20H21N5O3/c21-12-16-18(17(13-22)20(26)24-19(16)23)14-2-4-15(5-3-14)28-9-1-6-25-7-10-27-11-8-25/h2-5H,1,6-11H2,(H3,23,24,26)
InChIKeyPBYHIFLHELHYRC-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.47
Rot. Bonds6

About 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394698) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394698
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C20H21N5O3/c21-12-16-18(17(13-22)20(26)24-19(16)23)14-2-4-15(5-3-14)28-9-1-6-25-7-10-27-11-8-25/h2-5H,1,6-11H2,(H3,23,24,26)
InChIKeyPBYHIFLHELHYRC-UHFFFAOYSA-N
XLogP1.47
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394058
2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394695
2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393713
2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395772
6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile
CID 58284379
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
2-amino-6-oxo-4-[4-(propoxymethyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393597
2-amino-6-oxo-4-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169395006
2-amino-4-[4-(2-hydroxyethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394289
2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 174668290
2-amino-4-(4-hex-1-ynylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395366

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394698) is 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is PBYHIFLHELHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-12-16-18(17(13-22)20(26)24-19(16)23)14-2-4-15(5-3-14)28-9-1-6-25-7-10-27-11-8-25/h2-5H,1,6-11H2,(H3,23,24,26).
What are the key properties of 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 379.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).