2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile

C19H18N4O3 — CID 142660344

IUPAC2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile
SMILESCC1(C)OCC(COc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)O1
InChIInChI=1S/C19H18N4O3/c1-19(2)25-11-13(26-19)10-24-18-15(9-21)16(12-6-4-3-5-7-12)14(8-20)17(22)23-18/h3-7,13H,10-11H2,1-2H3,(H2,22,23)
InChIKeyOBMKZQXIVABFTC-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 142660344) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID142660344
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile
SMILESCC1(C)OCC(COc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)O1
InChIInChI=1S/C19H18N4O3/c1-19(2)25-11-13(26-19)10-24-18-15(9-21)16(12-6-4-3-5-7-12)14(8-20)17(22)23-18/h3-7,13H,10-11H2,1-2H3,(H2,22,23)
InChIKeyOBMKZQXIVABFTC-UHFFFAOYSA-N
XLogP2.60
TPSA114.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6-methoxy-4-phenylisoquinoline-3-carbonitrile
CID 11223023
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxy]ethyl 2-amino-3-phenylpropanoate
CID 91415868
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxy]ethyl (2S)-2-amino-3-phenylpropanoate
CID 12972735
2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine
CID 10420609
2-amino-6-methoxy-4-(3-phenylphenyl)pyridine-3,5-dicarbonitrile
CID 170319410
3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58552948
[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol
CID 126708776
4-chloro-2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]benzonitrile
CID 10706967
4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane
CID 156832181
5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-amine
CID 121350496
4,5-dichloro-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(4-methylpentan-2-yloxy)benzene-1,2-dicarbonitrile
CID 139757771
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile (CID 142660344) is 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile is CC1(C)OCC(COc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)O1.
What is the InChIKey of 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is OBMKZQXIVABFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-19(2)25-11-13(26-19)10-24-18-15(9-21)16(12-6-4-3-5-7-12)14(8-20)17(22)23-18/h3-7,13H,10-11H2,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 350.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 142660344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).