3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide

C15H19N3O2S — CID 102640036

IUPAC3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide
SMILESCN(C(=O)c1sc2cccnc2c1N)C1CCCCC1O
InChIInChI=1S/C15H19N3O2S/c1-18(9-5-2-3-6-10(9)19)15(20)14-12(16)13-11(21-14)7-4-8-17-13/h4,7-10,19H,2-3,5-6,16H2,1H3
InChIKeyPMZLZFFRLRSYBK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.25
Rot. Bonds2

About 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide

3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 102640036) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID102640036
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide
SMILESCN(C(=O)c1sc2cccnc2c1N)C1CCCCC1O
InChIInChI=1S/C15H19N3O2S/c1-18(9-5-2-3-6-10(9)19)15(20)14-12(16)13-11(21-14)7-4-8-17-13/h4,7-10,19H,2-3,5-6,16H2,1H3
InChIKeyPMZLZFFRLRSYBK-UHFFFAOYSA-N
XLogP2.25
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide (CID 102640036) is 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide is CN(C(=O)c1sc2cccnc2c1N)C1CCCCC1O.
What is the InChIKey of 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is PMZLZFFRLRSYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(9-5-2-3-6-10(9)19)15(20)14-12(16)13-11(21-14)7-4-8-17-13/h4,7-10,19H,2-3,5-6,16H2,1H3.
What are the key properties of 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide?
3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxycyclohexyl)-N-methylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 102640036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).