3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide

C16H16N4O2S — CID 155817231

IUPAC3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3ccccn3)c(N)c2cc1C(C)O
InChIInChI=1S/C16H16N4O2S/c1-8-10(9(2)21)7-11-13(17)14(23-16(11)19-8)15(22)20-12-5-3-4-6-18-12/h3-7,9,21H,17H2,1-2H3,(H,18,20,22)
InChIKeyVAWHPLYBIWXPGX-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155817231) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155817231
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3ccccn3)c(N)c2cc1C(C)O
InChIInChI=1S/C16H16N4O2S/c1-8-10(9(2)21)7-11-13(17)14(23-16(11)19-8)15(22)20-12-5-3-4-6-18-12/h3-7,9,21H,17H2,1-2H3,(H,18,20,22)
InChIKeyVAWHPLYBIWXPGX-UHFFFAOYSA-N
XLogP2.89
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 155817231) is 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)Nc3ccccn3)c(N)c2cc1C(C)O.
What is the InChIKey of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VAWHPLYBIWXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-8-10(9(2)21)7-11-13(17)14(23-16(11)19-8)15(22)20-12-5-3-4-6-18-12/h3-7,9,21H,17H2,1-2H3,(H,18,20,22).
What are the key properties of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155817231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).