7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C17H24N4O2 — CID 658654

IUPAC7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(NCCN3CCOCC3)c(C#N)cc2CO1
InChIInChI=1S/C17H24N4O2/c1-17(2)10-15-14(12-23-17)9-13(11-18)16(20-15)19-3-4-21-5-7-22-8-6-21/h9H,3-8,10,12H2,1-2H3,(H,19,20)
InChIKeyVYIOKQMROPCYDK-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.55
Rot. Bonds4

About 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 658654) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID658654
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(NCCN3CCOCC3)c(C#N)cc2CO1
InChIInChI=1S/C17H24N4O2/c1-17(2)10-15-14(12-23-17)9-13(11-18)16(20-15)19-3-4-21-5-7-22-8-6-21/h9H,3-8,10,12H2,1-2H3,(H,19,20)
InChIKeyVYIOKQMROPCYDK-UHFFFAOYSA-N
XLogP1.55
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 817267
7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 39378248
2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103742965
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367
2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
CID 21004425
5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 173164163
7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4887357
2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 162638269
3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123982145
1-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 3221635
6-N-ethyl-2,5-dimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80778253

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 658654) is 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC1(C)Cc2nc(NCCN3CCOCC3)c(C#N)cc2CO1.
What is the InChIKey of 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is VYIOKQMROPCYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2)10-15-14(12-23-17)9-13(11-18)16(20-15)19-3-4-21-5-7-22-8-6-21/h9H,3-8,10,12H2,1-2H3,(H,19,20).
What are the key properties of 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 316.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 658654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).