3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H21N3O2S — CID 23997927

IUPAC3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NCC3CCCO3)c(N)c2c(C)c1C
InChIInChI=1S/C16H21N3O2S/c1-8-9(2)12-13(17)14(22-16(12)19-10(8)3)15(20)18-7-11-5-4-6-21-11/h11H,4-7,17H2,1-3H3,(H,18,20)
InChIKeyUSBBMGWXKJSJBA-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.71
Rot. Bonds3

About 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23997927) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23997927
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NCC3CCCO3)c(N)c2c(C)c1C
InChIInChI=1S/C16H21N3O2S/c1-8-9(2)12-13(17)14(22-16(12)19-10(8)3)15(20)18-7-11-5-4-6-21-11/h11H,4-7,17H2,1-3H3,(H,18,20)
InChIKeyUSBBMGWXKJSJBA-UHFFFAOYSA-N
XLogP2.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
1-amino-N-(oxolan-2-ylmethyl)-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 4903390
2,3,5-trimethyl-4-oxo-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 52985518
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
CID 94850862
15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
CID 7383473
15-amino-N-[[(2R)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
CID 7383474
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23997927) is 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NCC3CCCO3)c(N)c2c(C)c1C.
What is the InChIKey of 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is USBBMGWXKJSJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-8-9(2)12-13(17)14(22-16(12)19-10(8)3)15(20)18-7-11-5-4-6-21-11/h11H,4-7,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23997927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).