N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide

C14H16N2O3S — CID 136587597

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cc2ccncc2s1
InChIInChI=1S/C14H16N2O3S/c1-18-11-3-5-19-8-10(11)16-14(17)12-6-9-2-4-15-7-13(9)20-12/h2,4,6-7,10-11H,3,5,8H2,1H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyBJWZPGUYRHKKLJ-GHMZBOCLSA-N
MW292.36 g/mol
LogP1.83
Rot. Bonds3

About N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide

N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 136587597) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID136587597
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cc2ccncc2s1
InChIInChI=1S/C14H16N2O3S/c1-18-11-3-5-19-8-10(11)16-14(17)12-6-9-2-4-15-7-13(9)20-12/h2,4,6-7,10-11H,3,5,8H2,1H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyBJWZPGUYRHKKLJ-GHMZBOCLSA-N
XLogP1.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide (CID 136587597) is N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2ccncc2s1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is BJWZPGUYRHKKLJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-11-3-5-19-8-10(11)16-14(17)12-6-9-2-4-15-7-13(9)20-12/h2,4,6-7,10-11H,3,5,8H2,1H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 136587597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).