3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C16H21N3OS — CID 865531

IUPAC3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NC3CCCCC3)sc2n1
InChIInChI=1S/C16H21N3OS/c1-9-8-10(2)18-16-12(9)13(17)14(21-16)15(20)19-11-6-4-3-5-7-11/h8,11H,3-7,17H2,1-2H3,(H,19,20)
InChIKeyVRHWKSORSQPGFJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.56
Rot. Bonds2

About 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 865531) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID865531
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NC3CCCCC3)sc2n1
InChIInChI=1S/C16H21N3OS/c1-9-8-10(2)18-16-12(9)13(17)14(21-16)15(20)19-11-6-4-3-5-7-11/h8,11H,3-7,17H2,1-2H3,(H,19,20)
InChIKeyVRHWKSORSQPGFJ-UHFFFAOYSA-N
XLogP3.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,6-dimethyl-N-(thiolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 103065140
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 46696989
3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 70852595
3-amino-N-cyclopropyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778662
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382481
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-4,6-dimethyl-N-(oxan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81037821

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 865531) is 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NC3CCCCC3)sc2n1.
What is the InChIKey of 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VRHWKSORSQPGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-9-8-10(2)18-16-12(9)13(17)14(21-16)15(20)19-11-6-4-3-5-7-11/h8,11H,3-7,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 865531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).