3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C15H19N3O2S — CID 114759397

IUPAC3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCC3(CCO)CC3)sc2n1
InChIInChI=1S/C15H19N3O2S/c1-9-2-3-10-11(16)12(21-14(10)18-9)13(20)17-8-15(4-5-15)6-7-19/h2-3,19H,4-8,16H2,1H3,(H,17,20)
InChIKeyXNUMGLMIFOAZKX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 114759397) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID114759397
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCC3(CCO)CC3)sc2n1
InChIInChI=1S/C15H19N3O2S/c1-9-2-3-10-11(16)12(21-14(10)18-9)13(20)17-8-15(4-5-15)6-7-19/h2-3,19H,4-8,16H2,1H3,(H,17,20)
InChIKeyXNUMGLMIFOAZKX-UHFFFAOYSA-N
XLogP2.08
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 114759397) is 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCC3(CCO)CC3)sc2n1.
What is the InChIKey of 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XNUMGLMIFOAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-2-3-10-11(16)12(21-14(10)18-9)13(20)17-8-15(4-5-15)6-7-19/h2-3,19H,4-8,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 114759397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).