[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C19H25N3O3S — CID 46696989

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C)c2c(N)c(C(=O)OC(C)C(=O)NC3CCCCC3)sc2n1
InChIInChI=1S/C19H25N3O3S/c1-10-9-11(2)21-18-14(10)15(20)16(26-18)19(24)25-12(3)17(23)22-13-7-5-4-6-8-13/h9,12-13H,4-8,20H2,1-3H3,(H,22,23)
InChIKeyJMIRCGJNBSQUHM-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.49
Rot. Bonds4

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 46696989) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID46696989
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C)c2c(N)c(C(=O)OC(C)C(=O)NC3CCCCC3)sc2n1
InChIInChI=1S/C19H25N3O3S/c1-10-9-11(2)21-18-14(10)15(20)16(26-18)19(24)25-12(3)17(23)22-13-7-5-4-6-8-13/h9,12-13H,4-8,20H2,1-3H3,(H,22,23)
InChIKeyJMIRCGJNBSQUHM-UHFFFAOYSA-N
XLogP3.49
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate
CID 43015392
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 43019097
3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 70852595
2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908746
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 6915447
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81312797
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322121
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 92513301

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 46696989) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is Cc1cc(C)c2c(N)c(C(=O)OC(C)C(=O)NC3CCCCC3)sc2n1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is JMIRCGJNBSQUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-10-9-11(2)21-18-14(10)15(20)16(26-18)19(24)25-12(3)17(23)22-13-7-5-4-6-8-13/h9,12-13H,4-8,20H2,1-3H3,(H,22,23).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 375.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 46696989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).