7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C15H19N3O — CID 750225

IUPAC7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(N3CCCC3)c(C#N)cc2CO1
InChIInChI=1S/C15H19N3O/c1-15(2)8-13-12(10-19-15)7-11(9-16)14(17-13)18-5-3-4-6-18/h7H,3-6,8,10H2,1-2H3
InChIKeyKOIYSPQCHPNVGU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.40
Rot. Bonds1

About 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 750225) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID750225
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(N3CCCC3)c(C#N)cc2CO1
InChIInChI=1S/C15H19N3O/c1-15(2)8-13-12(10-19-15)7-11(9-16)14(17-13)18-5-3-4-6-18/h7H,3-6,8,10H2,1-2H3
InChIKeyKOIYSPQCHPNVGU-UHFFFAOYSA-N
XLogP2.40
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-Dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 800429
3,3-dimethyl-8-(2-methylpropyl)-6-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657441
6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657458
6-(4-Benzylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 657552
3,3-dimethyl-6-morpholino-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657704
6-(diethylamino)-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657820
3,3-dimethyl-6-(morpholin-4-yl)-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 658231
3,3-Dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 658465
2-(3-Hydroxypropylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 659804
3,3-dimethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 664660
6-((2-(diethylamino)ethyl)amino)-3,3-dimethyl-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 1900094
2-(1-piperidinyl)-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 2959486

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 750225) is 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC1(C)Cc2nc(N3CCCC3)c(C#N)cc2CO1.
What is the InChIKey of 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is KOIYSPQCHPNVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)8-13-12(10-19-15)7-11(9-16)14(17-13)18-5-3-4-6-18/h7H,3-6,8,10H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 750225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).