6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile

C19H23N3O2S — CID 143033495

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCCCc1cc(N2CCC3(CC2)OCCO3)nc2sc(C#N)c(C)c12
InChIInChI=1S/C19H23N3O2S/c1-3-4-14-11-16(21-18-17(14)13(2)15(12-20)25-18)22-7-5-19(6-8-22)23-9-10-24-19/h11H,3-10H2,1-2H3
InChIKeyDXDFZPALQSDHSB-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.77
Rot. Bonds3

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 143033495) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID143033495
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCCCc1cc(N2CCC3(CC2)OCCO3)nc2sc(C#N)c(C)c12
InChIInChI=1S/C19H23N3O2S/c1-3-4-14-11-16(21-18-17(14)13(2)15(12-20)25-18)22-7-5-19(6-8-22)23-9-10-24-19/h11H,3-10H2,1-2H3
InChIKeyDXDFZPALQSDHSB-UHFFFAOYSA-N
XLogP3.77
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
CID 114768261
3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400987
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine
CID 112875061
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938548
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine
CID 112932556
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-methylbenzonitrile
CID 107929679
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine
CID 112922847
3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400921
8-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910200
6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine
CID 91260202
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112875048

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile (CID 143033495) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile is CCCc1cc(N2CCC3(CC2)OCCO3)nc2sc(C#N)c(C)c12.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is DXDFZPALQSDHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-4-14-11-16(21-18-17(14)13(2)15(12-20)25-18)22-7-5-19(6-8-22)23-9-10-24-19/h11H,3-10H2,1-2H3.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 357.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-4-propylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 143033495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).