2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile

C23H28N4O2 — CID 95560938

IUPAC2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
SMILESCC1(C)C[C@H](c2cc(-c3ccc(N4CCOCC4)cc3)nc(N)c2C#N)CCO1
InChIInChI=1S/C23H28N4O2/c1-23(2)14-17(7-10-29-23)19-13-21(26-22(25)20(19)15-24)16-3-5-18(6-4-16)27-8-11-28-12-9-27/h3-6,13,17H,7-12,14H2,1-2H3,(H2,25,26)/t17-/m1/s1
InChIKeyCCKMRUKFYYNPFF-QGZVFWFLSA-N
MW392.50 g/mol
LogP3.71
Rot. Bonds3

About 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile

2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile (PubChem CID 95560938) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
PubChem CID95560938
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
SMILESCC1(C)C[C@H](c2cc(-c3ccc(N4CCOCC4)cc3)nc(N)c2C#N)CCO1
InChIInChI=1S/C23H28N4O2/c1-23(2)14-17(7-10-29-23)19-13-21(26-22(25)20(19)15-24)16-3-5-18(6-4-16)27-8-11-28-12-9-27/h3-6,13,17H,7-12,14H2,1-2H3,(H2,25,26)/t17-/m1/s1
InChIKeyCCKMRUKFYYNPFF-QGZVFWFLSA-N
XLogP3.71
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile with MolForge

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Related Compounds

2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 56866569
2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
CID 95191769
2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
CID 95558662
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 102246453
ethyl 3-[6-amino-5-cyano-4-[(3S)-oxolan-3-yl]-2-pyridinyl]benzoate
CID 95543419
ethyl 3-[6-amino-5-cyano-4-[(3R)-oxolan-3-yl]-2-pyridinyl]benzoate
CID 95543421
2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
CID 95195392
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254
2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile
CID 95469054
5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile
CID 71418634
2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 1082591
2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile
CID 11824071

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile (CID 95560938) is 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile is CC1(C)C[C@H](c2cc(-c3ccc(N4CCOCC4)cc3)nc(N)c2C#N)CCO1.
What is the InChIKey of 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is CCKMRUKFYYNPFF-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-23(2)14-17(7-10-29-23)19-13-21(26-22(25)20(19)15-24)16-3-5-18(6-4-16)27-8-11-28-12-9-27/h3-6,13,17H,7-12,14H2,1-2H3,(H2,25,26)/t17-/m1/s1.
What are the key properties of 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 392.50 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 95560938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).