3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C17H23N3OS — CID 2348672

IUPAC3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCC3CCCCC3)sc2n1
InChIInChI=1S/C17H23N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h8,12H,3-7,9,18H2,1-2H3,(H,19,21)
InChIKeyZMOMPKDRUNGYJL-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.81
Rot. Bonds3

About 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 2348672) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID2348672
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCC3CCCCC3)sc2n1
InChIInChI=1S/C17H23N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h8,12H,3-7,9,18H2,1-2H3,(H,19,21)
InChIKeyZMOMPKDRUNGYJL-UHFFFAOYSA-N
XLogP3.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 2348672) is 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NCC3CCCCC3)sc2n1.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZMOMPKDRUNGYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h8,12H,3-7,9,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 2348672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).