8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

C17H26N3O+ — CID 6937082

IUPAC8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
SMILESCCc1[nH+]c(NCC(C)C)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C17H25N3O/c1-6-15-14-10-21-17(4,5)7-12(14)13(8-18)16(20-15)19-9-11(2)3/h11H,6-7,9-10H2,1-5H3,(H,19,20)/p+1
InChIKeyIFFDDTHAXVJKSE-UHFFFAOYSA-O
MW288.42 g/mol
LogP2.85
Rot. Bonds4

About 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile (PubChem CID 6937082) has the molecular formula C17H26N3O+ and a molecular weight of 288.42 g/mol. Its IUPAC name is 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile.

Molecular Properties

Compound Name8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
PubChem CID6937082
Molecular FormulaC17H26N3O+
Molecular Weight288.42 g/mol
Exact Mass288.21
IUPAC Name8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
SMILESCCc1[nH+]c(NCC(C)C)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C17H25N3O/c1-6-15-14-10-21-17(4,5)7-12(14)13(8-18)16(20-15)19-9-11(2)3/h11H,6-7,9-10H2,1-5H3,(H,19,20)/p+1
InChIKeyIFFDDTHAXVJKSE-UHFFFAOYSA-O
XLogP2.85
TPSA59.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

8-butyl-6-(hexylamino)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7045283
3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7358488
1-ethyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
CID 7045285
2-(ethoxymethylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile
CID 25249118
6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6942138
6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
CID 23739814
methyl 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate
CID 71827184
(2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]propanoate
CID 7358610
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetohydrazide
CID 134691500
6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86727215
8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659403
2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23881945

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The IUPAC name of 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile (CID 6937082) is 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile.
What is the SMILES notation for 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The canonical SMILES for 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile is CCc1[nH+]c(NCC(C)C)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The InChIKey is IFFDDTHAXVJKSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O/c1-6-15-14-10-21-17(4,5)7-12(14)13(8-18)16(20-15)19-9-11(2)3/h11H,6-7,9-10H2,1-5H3,(H,19,20)/p+1.
What are the key properties of 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile has a molecular weight of 288.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile is sourced from PubChem (CID 6937082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).