2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide

C14H20N2O4 — CID 91792529

IUPAC2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OC
InChIInChI=1S/C14H20N2O4/c1-3-20-14-10(5-4-7-15-14)13(17)16-11-6-8-19-9-12(11)18-2/h4-5,7,11-12H,3,6,8-9H2,1-2H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyMNWBNQVRFGGMPY-VXGBXAGGSA-N
MW280.32 g/mol
LogP1.01
Rot. Bonds5

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

2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide (PubChem CID 91792529) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
PubChem CID91792529
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OC
InChIInChI=1S/C14H20N2O4/c1-3-20-14-10(5-4-7-15-14)13(17)16-11-6-8-19-9-12(11)18-2/h4-5,7,11-12H,3,6,8-9H2,1-2H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyMNWBNQVRFGGMPY-VXGBXAGGSA-N
XLogP1.01
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide (CID 91792529) is 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OC.
What is the InChIKey of 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide?
The InChIKey is MNWBNQVRFGGMPY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-20-14-10(5-4-7-15-14)13(17)16-11-6-8-19-9-12(11)18-2/h4-5,7,11-12H,3,6,8-9H2,1-2H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide?
2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91792529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).