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

C20H21N5O4 — CID 169394695

IUPAC2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCCN1CCOCC1
InChIInChI=1S/C20H21N5O4/c1-27-16-4-2-3-13(18(16)29-10-7-25-5-8-28-9-6-25)17-14(11-21)19(23)24-20(26)15(17)12-22/h2-4H,5-10H2,1H3,(H3,23,24,26)
InChIKeyKWXRWOCURKSFKW-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.09
Rot. Bonds6

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

2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394695) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394695
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCCN1CCOCC1
InChIInChI=1S/C20H21N5O4/c1-27-16-4-2-3-13(18(16)29-10-7-25-5-8-28-9-6-25)17-14(11-21)19(23)24-20(26)15(17)12-22/h2-4H,5-10H2,1H3,(H3,23,24,26)
InChIKeyKWXRWOCURKSFKW-UHFFFAOYSA-N
XLogP1.09
TPSA137.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393480
2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394366
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394698
2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394058
2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394361
ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400669
2-amino-4-[2-(3-cyanopropoxy)-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406948
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
CID 39379363
4-[2-[2-(1,3-dioxolan-2-yl)ethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586409
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22684728

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394695) is 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCCN1CCOCC1.
What is the InChIKey of 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is KWXRWOCURKSFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-27-16-4-2-3-13(18(16)29-10-7-25-5-8-28-9-6-25)17-14(11-21)19(23)24-20(26)15(17)12-22/h2-4H,5-10H2,1H3,(H3,23,24,26).
What are the key properties of 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 395.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).