N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C16H20N2O2S — CID 136567685

IUPACN-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCC1(C)CCCC(CNC(=O)c2cc3cccnc3s2)O1
InChIInChI=1S/C16H20N2O2S/c1-16(2)7-3-6-12(20-16)10-18-14(19)13-9-11-5-4-8-17-15(11)21-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,18,19)
InChIKeyHDBIRHVPPYITJD-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.37
Rot. Bonds3

About N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 136567685) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID136567685
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCC1(C)CCCC(CNC(=O)c2cc3cccnc3s2)O1
InChIInChI=1S/C16H20N2O2S/c1-16(2)7-3-6-12(20-16)10-18-14(19)13-9-11-5-4-8-17-15(11)21-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,18,19)
InChIKeyHDBIRHVPPYITJD-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 166298778
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25057680
N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 136567701
thieno[2,3-b]pyridine-2-carboxylate
CID 7162094
N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
CID 164640798
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 66814630
2-[(3S)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1-thieno[2,3-b]pyridin-2-ylethanone
CID 161078678
1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 126793407
N-[[(5S,7R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide
CID 124803680
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 103800992
N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 124781029

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 136567685) is N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide is CC1(C)CCCC(CNC(=O)c2cc3cccnc3s2)O1.
What is the InChIKey of N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HDBIRHVPPYITJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2)7-3-6-12(20-16)10-18-14(19)13-9-11-5-4-8-17-15(11)21-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 136567685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).