8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C21H29N3O4 — CID 71702253

IUPAC8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(OCC(=O)N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C21H29N3O4/c1-4-5-6-18-17-13-28-21(2,3)11-15(17)16(12-22)20(23-18)27-14-19(25)24-7-9-26-10-8-24/h4-11,13-14H2,1-3H3
InChIKeySXKYVMOQJIIMIZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.38
Rot. Bonds6

About 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71702253) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71702253
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(OCC(=O)N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C21H29N3O4/c1-4-5-6-18-17-13-28-21(2,3)11-15(17)16(12-22)20(23-18)27-14-19(25)24-7-9-26-10-8-24/h4-11,13-14H2,1-3H3
InChIKeySXKYVMOQJIIMIZ-UHFFFAOYSA-N
XLogP2.38
TPSA84.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71703133
methyl 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate
CID 71827184
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetohydrazide
CID 134691500
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97263540
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 71708639
3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid
CID 56698837
ethyl (2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
CID 1205092
2-[4-[[4-butyl-2-methyl-6-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 71115511
ethyl 3-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]propanoate
CID 6960247
6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6942138
6-[(3S)-4-butanoyl-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 138404117
6-[(3R)-4-butanoyl-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71136884

Frequently Asked Questions

What is the IUPAC name of 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71702253) is 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCCc1nc(OCC(=O)N2CCOCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is SXKYVMOQJIIMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-4-5-6-18-17-13-28-21(2,3)11-15(17)16(12-22)20(23-18)27-14-19(25)24-7-9-26-10-8-24/h4-11,13-14H2,1-3H3.
What are the key properties of 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 387.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71702253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).