2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide

C16H23N3O3 — CID 122571640

IUPAC2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c(C)n1
InChIInChI=1S/C16H23N3O3/c1-11-3-4-13(12(2)17-11)16(20)18-14-9-22-10-15(14)19-5-7-21-8-6-19/h3-4,14-15H,5-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyOHEVOTQBTFHOFB-GJZGRUSLSA-N
MW305.38 g/mol
LogP0.53
Rot. Bonds3

About 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide

2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide (PubChem CID 122571640) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide
PubChem CID122571640
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c(C)n1
InChIInChI=1S/C16H23N3O3/c1-11-3-4-13(12(2)17-11)16(20)18-14-9-22-10-15(14)19-5-7-21-8-6-19/h3-4,14-15H,5-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyOHEVOTQBTFHOFB-GJZGRUSLSA-N
XLogP0.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide (CID 122571640) is 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is OHEVOTQBTFHOFB-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-3-4-13(12(2)17-11)16(20)18-14-9-22-10-15(14)19-5-7-21-8-6-19/h3-4,14-15H,5-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide?
2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 122571640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).