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

C19H19N5O3 — CID 169394058

IUPAC2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1CN1CCOCC1
InChIInChI=1S/C19H19N5O3/c1-26-16-3-2-12(8-13(16)11-24-4-6-27-7-5-24)17-14(9-20)18(22)23-19(25)15(17)10-21/h2-3,8H,4-7,11H2,1H3,(H3,22,23,25)
InChIKeyBFXYPFOMXKWITC-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.21
Rot. Bonds4

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

2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394058) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394058
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1CN1CCOCC1
InChIInChI=1S/C19H19N5O3/c1-26-16-3-2-12(8-13(16)11-24-4-6-27-7-5-24)17-14(9-20)18(22)23-19(25)15(17)10-21/h2-3,8H,4-7,11H2,1H3,(H3,22,23,25)
InChIKeyBFXYPFOMXKWITC-UHFFFAOYSA-N
XLogP1.21
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394022
2-amino-4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394299
2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394698
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394695
2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393833
2-amino-4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393866
2-amino-4-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393867
2-amino-4-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394054
2-amino-4-[3-[(dimethylamino)methyl]-4-hydroxy-5-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393320
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] propanoate
CID 169394799
5-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117465926

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394058) is 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1CN1CCOCC1.
What is the InChIKey of 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is BFXYPFOMXKWITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-16-3-2-12(8-13(16)11-24-4-6-27-7-5-24)17-14(9-20)18(22)23-19(25)15(17)10-21/h2-3,8H,4-7,11H2,1H3,(H3,22,23,25).
What are the key properties of 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 365.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).