3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide

C15H17N3O3S — CID 91764238

IUPAC3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C15H17N3O3S/c16-10-5-8-22-14(10)15(19)18-11-9-20-7-4-12(11)21-13-3-1-2-6-17-13/h1-3,5-6,8,11-12H,4,7,9,16H2,(H,18,19)/t11-,12-/m1/s1
InChIKeyCDFDXHCAPXMKLG-VXGBXAGGSA-N
MW319.39 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide

3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide (PubChem CID 91764238) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
PubChem CID91764238
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C15H17N3O3S/c16-10-5-8-22-14(10)15(19)18-11-9-20-7-4-12(11)21-13-3-1-2-6-17-13/h1-3,5-6,8,11-12H,4,7,9,16H2,(H,18,19)/t11-,12-/m1/s1
InChIKeyCDFDXHCAPXMKLG-VXGBXAGGSA-N
XLogP1.69
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide (CID 91764238) is 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide is Nc1ccsc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1.
What is the InChIKey of 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide?
The InChIKey is CDFDXHCAPXMKLG-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-10-5-8-22-14(10)15(19)18-11-9-20-7-4-12(11)21-13-3-1-2-6-17-13/h1-3,5-6,8,11-12H,4,7,9,16H2,(H,18,19)/t11-,12-/m1/s1.
What are the key properties of 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide?
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91764238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).