N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

C12H12N2O3S — CID 68866600

IUPACN-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESCN(C(=O)c1c(O)c2cscc2[nH]c1=O)C1CC1
InChIInChI=1S/C12H12N2O3S/c1-14(6-2-3-6)12(17)9-10(15)7-4-18-5-8(7)13-11(9)16/h4-6,15H,2-3H2,1H3,(H,13,16)
InChIKeyWKAJJTCXKJBFQF-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.53
Rot. Bonds2

About N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (PubChem CID 68866600) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
PubChem CID68866600
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESCN(C(=O)c1c(O)c2cscc2[nH]c1=O)C1CC1
InChIInChI=1S/C12H12N2O3S/c1-14(6-2-3-6)12(17)9-10(15)7-4-18-5-8(7)13-11(9)16/h4-6,15H,2-3H2,1H3,(H,13,16)
InChIKeyWKAJJTCXKJBFQF-UHFFFAOYSA-N
XLogP1.53
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (CID 68866600) is N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is CN(C(=O)c1c(O)c2cscc2[nH]c1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The InChIKey is WKAJJTCXKJBFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-14(6-2-3-6)12(17)9-10(15)7-4-18-5-8(7)13-11(9)16/h4-6,15H,2-3H2,1H3,(H,13,16).
What are the key properties of N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 68866600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).